data_Crystal _symmetry_space_group_name_H-M 'I 41/a ' _symmetry_space_group_name_Hall '-I 4AD ' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 2 '1/2-x, -y, 1/2+z' 3 '3/4-y, 1/4+x, 1/4+z' 4 '3/4+y, 3/4-x, 3/4+z' 5 '-x, -y, -z' 6 '1/2+x, y, 1/2-z' 7 '3/4+y, 1/4-x, 1/4-z' 8 '3/4-y, 3/4+x, 3/4-z' 9 '1/2+x, 1/2+y, 1/2+z' 10 '-x, 1/2-y, z' 11 '1/4-y, 3/4+x, 3/4+z' 12 '1/4+y, 1/4-x, 1/4+z' 13 '1/2-x, 1/2-y, 1/2-z' 14 'x, 1/2+y, -z' 15 '1/4+y, 3/4-x, 3/4-z' 16 '1/4-y, 1/4+x, 1/4-z' _cell_length_a 17.25861(21) _cell_length_b 17.25861(21) _cell_length_c 15.11632(23) _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 90.000000 _cell_volume 4502.61(13) _cell_measurement_temperature ? _cell_formula_units_Z 1 _chemical_formula_sum 'Br38.458 Cl25.542 H240 N80 Pt16 ' _chemical_formula_weight 8460.90 _exptl_crystal_density_diffrn 3.1214 loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag 'Pt' -4.18993 8.54870 'Br' -0.45268 1.65468 'Cl' 0.37829 0.91516 'N' 0.03782 0.02466 'H' -0.00052 0.00000 _atom_type_scat_source ; X-Ray Form Factor, C Attenuation and Scattering Tables (version 2.1). NIST, Gaithersburg, MD. ; loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_adp_type Pt Pt 0.24579(10) 0.26841(7) 0.50209(15) 0.015(6) 1.0000 Uiso Br1 Br 0.12571(23) 0.28267(24) 0.23195(38) 0.026(6) 0.896(12) Uiso Br2 Br 0.28375(21) 0.52788(18) 0.48527(24) 0.030(6) 0.921(9) Uiso Br3 Br 0.14937(29) 0.30820(26) 0.76687(42) 0.025(6) 0.587(12) Uiso Cl1 Cl 0.12571(23) 0.28267(24) 0.23195(38) 0.026(6) 0.104(12) Uiso Cl2 Cl 0.28375(21) 0.52788(18) 0.48527(24) 0.030(6) 0.079(9) Uiso Cl3 Cl 0.14937(29) 0.30820(26) 0.76687(42) 0.025(6) 0.413(12) Uiso Cl4 Cl 0.1262(5) 0.32560(38) 0.4936(9) 0.030(6) 1.0000 Uiso N1 N 0.3534(10) 0.2167(11) 0.5192(16) 0.011(7) 1.0000 Uiso N2 N 0.2130(17) 0.1903(12) 0.4063(12) 0.011(7) 1.0000 Uiso N3 N 0.2792(15) 0.3501(13) 0.5946(13) 0.011(7) 1.0000 Uiso N4 N 0.2008(15) 0.1954(13) 0.5960(12) 0.011(7) 1.0000 Uiso N5 N 0.2872(14) 0.3424(12) 0.4083(13) 0.011(7) 1.0000 Uiso H11 H 0.3921(10) 0.2441(11) 0.4873(16) 0.0380 1.0000 Uiso H12 H 0.3665(10) 0.2157(11) 0.5802(16) 0.0380 1.0000 Uiso H13 H 0.3501(10) 0.1651(11) 0.4974(16) 0.0380 1.0000 Uiso H21 H 0.2543(17) 0.1552(12) 0.3947(12) 0.0380 1.0000 Uiso H22 H 0.1695(17) 0.1624(12) 0.4278(12) 0.0380 1.0000 Uiso H23 H 0.1993(17) 0.2164(12) 0.3532(12) 0.0380 1.0000 Uiso H31 H 0.3310(15) 0.3406(13) 0.6127(13) 0.0380 1.0000 Uiso H32 H 0.2457(15) 0.3463(13) 0.6442(13) 0.0380 1.0000 Uiso H33 H 0.2757(15) 0.4007(13) 0.5700(13) 0.0380 1.0000 Uiso H41 H 0.1478(15) 0.2083(13) 0.6037(12) 0.0380 1.0000 Uiso H42 H 0.2278(15) 0.2032(13) 0.6501(12) 0.0380 1.0000 Uiso H43 H 0.2051(15) 0.1426(13) 0.5789(12) 0.0380 1.0000 Uiso H51 H 0.2471(14) 0.3760(12) 0.3888(13) 0.0380 1.0000 Uiso H52 H 0.3278(14) 0.3720(12) 0.4339(13) 0.0380 1.0000 Uiso H53 H 0.3068(14) 0.3139(12) 0.3594(13) 0.0380 1.0000 Uiso loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt Cl4 2.291(9) . ? Pt N1 2.077(18) . ? Pt N2 2.058(21) . ? Pt N3 2.067(21) . ? Pt N4 2.051(21) . ? Pt N5 2.038(21) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Cl4 Pt N1 176.0(8) . . ? Cl4 Pt N2 89.7(8) . . ? Cl4 Pt N3 89.8(7) . . ? Cl4 Pt N4 87.8(8) . . ? Cl4 Pt N5 90.4(7) . . ? N1 Pt N2 93.0(10) . . ? N1 Pt N3 87.7(9) . . ? N1 Pt N4 89.3(9) . . ? N1 Pt N5 92.4(9) . . ? N2 Pt N3 177.8(8) . . ? N2 Pt N4 88.9(8) . . ? N2 Pt N5 91.0(8) . . ? N3 Pt N4 93.2(8) . . ? N3 Pt N5 86.9(8) . . ? N4 Pt N5 178.2(10) . . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_calc _refln_phase_calc 0 1 1 55.771 50.282 3.1416 0 2 0 145.87 141.36 -0.0000 1 2 1 82.432 78.631 3.1416 2 1 1 77.447 73.794 0.0000 1 1 2 9.2950 8.8775 3.1416 2 2 0 1005.1 999.51 -0.0000 0 2 2 891.05 898.97 3.1416 0 3 1 8.2287 9.3514 0.0000 0 1 3 31.493 23.583 3.1416 2 2 2 183.90 173.84 3.1416 2 3 1 263.47 258.77 0.0000 3 2 1 136.43 133.96 3.1416 1 3 2 26.964 26.660 -0.0000 3 1 2 28.506 28.058 -3.1416 0 4 0 1002.0 984.31 -0.0000 1 2 3 20.566 20.242 -3.1416 2 1 3 280.53 276.16 -3.1416 1 4 1 397.33 400.54 -0.0000 4 1 1 419.41 422.80 -0.0000 2 4 0 1000.3 948.63 3.1416 4 2 0 221.02 209.55 -0.0000 0 3 3 139.01 142.03 -3.1416 0 0 4 2138.9 2174.8 0.0000 0 4 2 486.55 476.44 -3.1416 1 1 4 144.45 148.17 3.1416 3 3 2 49.455 47.552 -3.1416 2 3 3 287.73 290.41 3.1416 3 2 3 255.75 257.25 -3.1416 0 2 4 5.9742 5.9796 3.1416 2 4 2 934.67 931.43 -3.1416 4 2 2 1368.3 1363.4 -3.1416 3 4 1 395.43 387.83 3.1416 0 5 1 291.42 284.39 -3.1416 4 3 1 31.022 30.336 -0.0000 1 4 3 454.91 450.17 -0.0000 4 1 3 505.58 500.41 3.1416 2 2 4 594.42 592.47 0.0000 2 5 1 345.34 341.54 0.0000 5 2 1 153.89 152.15 0.0000 1 3 4 174.84 168.48 -3.1416 3 1 4 42.296 40.616 0.0000 1 5 2 43.422 48.791 3.1416 5 1 2 44.271 49.775 -0.0000 4 4 0 709.12 699.58 -0.0000 0 1 5 108.72 101.83 3.1416 0 6 0 357.74 355.00 -0.0000 0 5 3 439.99 443.38 0.0000 3 4 3 303.52 305.49 -3.1416 4 3 3 81.582 82.110 -0.0000 0 4 4 872.20 858.81 0.0000 4 4 2 380.26 378.01 3.1416 1 2 5 83.918 84.283 3.1416 2 1 5 190.48 191.35 3.1416 1 6 1 99.430 91.599 -0.0000 6 1 1 76.147 70.182 0.0000 3 3 4 197.27 192.50 -0.0000 3 5 2 39.824 40.383 3.1416 5 3 2 48.214 48.903 3.1416 2 6 0 1216.0 1155.0 0.0000 6 2 0 330.70 314.08 -3.1416 2 5 3 227.74 228.55 3.1416 5 2 3 194.64 195.30 0.0000 2 4 4 1282.8 1235.6 3.1416 4 2 4 18.324 17.666 0.0000 0 6 2 811.56 818.93 3.1416 0 3 5 124.05 124.11 -3.1416 4 5 1 546.34 535.44 0.0000 5 4 1 223.25 218.84 -0.0000 2 6 2 274.78 274.18 -3.1416 6 2 2 135.93 135.67 -0.0000 2 3 5 34.636 35.979 0.0000 3 2 5 26.144 26.923 -0.0000 3 6 1 179.15 176.05 0.0000 6 3 1 111.83 109.93 0.0000 1 5 4 37.604 35.376 -0.0000 5 1 4 202.22 190.30 3.1416 1 6 3 221.37 221.47 -3.1416 6 1 3 352.08 352.20 -3.1416 1 1 6 1.2219 1.2135 -0.0000 1 4 5 389.15 386.90 0.0000 4 1 5 338.43 336.45 -0.0000 0 7 1 66.577 57.785 -0.0000 0 2 6 546.39 553.01 -3.1416 4 6 0 390.63 397.18 0.0000 6 4 0 226.56 230.34 -0.0000 4 5 3 207.44 206.17 3.1416 5 4 3 181.53 180.42 -0.0000 4 4 4 821.25 828.76 0.0000 2 7 1 323.68 315.97 0.0000 7 2 1 198.02 193.28 3.1416 3 5 4 32.473 33.883 -0.0000 5 3 4 16.547 17.303 -3.1416 2 2 6 48.321 50.925 -0.0000 1 7 2 11.247 11.314 -3.1416 7 1 2 48.010 48.509 3.1416 5 5 2 83.689 84.102 -0.0000 3 6 3 235.09 226.04 -0.0000 6 3 3 152.98 147.06 -3.1416 0 6 4 101.19 101.70 0.0000 1 3 6 101.66 102.86 0.0000 3 1 6 55.836 56.663 -3.1416 4 6 2 852.09 865.40 3.1416 6 4 2 684.30 694.98 -3.1416 3 4 5 539.76 532.54 3.1416 0 5 5 63.327 62.485 3.1416 4 3 5 77.318 76.296 0.0000 0 7 3 76.546 76.499 -0.0000 2 6 4 1071.0 1045.7 0.0000 6 2 4 171.55 167.49 0.0000 2 5 5 198.42 197.03 -0.0000 5 2 5 33.919 33.682 -0.0000 5 6 1 23.152 22.474 -0.0000 6 5 1 317.58 308.15 -0.0000 0 4 6 156.28 163.60 -3.1416 3 7 2 117.62 121.34 3.1416 7 3 2 4.1380 4.2323 3.1416 0 8 0 720.53 732.04 0.0000 2 7 3 184.42 182.28 3.1416 7 2 3 79.368 78.658 -3.1416 0 1 7 92.709 89.432 3.1416 3 3 6 70.253 68.289 -3.1416 1 8 1 532.33 516.82 0.0000 8 1 1 195.12 189.43 0.0000 4 7 1 155.58 152.15 -0.0000 7 4 1 319.24 312.12 3.1416 2 4 6 801.45 791.28 -3.1416 4 2 6 1183.3 1168.2 -3.1416 2 8 0 433.29 428.89 0.0000 8 2 0 499.68 494.60 -3.1416 1 2 7 12.132 12.127 -0.0000 2 1 7 405.68 405.11 -3.1416 0 8 2 84.238 84.997 0.0000 1 6 5 22.187 22.017 3.1416 6 1 5 82.335 81.717 0.0000 1 7 4 8.2332 9.1704 -3.1416 7 1 4 11.262 12.662 0.0000 5 5 4 15.580 17.582 0.0000 6 6 0 721.79 719.25 -0.0000 5 6 3 13.585 13.681 0.0000 6 5 3 268.27 270.63 -3.1416 4 6 4 59.310 57.925 -0.0000 6 4 4 21.697 21.086 0.0000 0 3 7 213.99 207.74 -3.1416 1 5 6 6.6439 6.4657 -3.1416 5 1 6 67.279 65.427 0.0000 2 8 2 237.23 250.16 -3.1416 8 2 2 928.70 979.20 3.1416 4 5 5 527.74 538.34 -0.0000 5 4 5 307.69 313.90 0.0000 3 8 1 562.74 564.67 3.1416 8 3 1 658.83 661.15 0.0000 1 8 3 627.11 618.21 0.0000 8 1 3 246.72 243.26 3.1416 4 7 3 41.455 40.912 -3.1416 7 4 3 395.69 390.54 -3.1416 2 3 7 294.55 285.46 3.1416 3 2 7 257.99 250.25 3.1416 6 6 2 684.43 698.70 -0.0000 3 6 5 280.07 278.82 0.0000 6 3 5 246.03 244.89 0.0000 3 7 4 143.56 133.21 -0.0000 7 3 4 24.433 22.813 -3.1416 4 4 6 63.675 58.048 -3.1416 5 7 2 1.3202 1.1210 3.1416 7 5 2 120.25 101.85 3.1416 4 8 0 1194.0 1163.2 0.0000 8 4 0 641.94 625.35 -0.0000 1 4 7 400.30 396.53 -0.0000 4 1 7 392.40 388.67 3.1416 3 5 6 6.3066 6.2622 3.1416 5 3 6 77.856 77.643 -3.1416 0 7 5 184.10 175.25 0.0000 0 9 1 73.885 76.271 -3.1416 0 6 6 825.28 808.49 -3.1416 0 0 8 1613.1 1631.8 0.0000 3 8 3 480.99 484.57 3.1416 8 3 3 583.89 588.17 -3.1416 0 8 4 814.84 812.21 -0.0000 4 8 2 83.718 83.704 3.1416 8 4 2 39.581 39.590 -3.1416 1 1 8 201.67 200.37 -3.1416 2 7 5 262.79 257.53 0.0000 7 2 5 192.17 188.50 3.1416 2 9 1 596.86 596.92 -0.0000 9 2 1 17.974 17.955 -3.1416 6 7 1 670.79 668.33 0.0000 7 6 1 82.309 82.038 0.0000 2 6 6 15.427 15.706 -0.0000 6 2 6 145.00 147.58 -0.0000 1 9 2 13.158 15.365 -3.1416 9 1 2 32.693 38.136 -3.1416 0 2 8 43.103 45.642 -0.0000 2 8 4 246.31 253.51 -0.0000 8 2 4 490.68 505.12 3.1416 0 5 7 369.47 380.10 -0.0000 3 4 7 87.821 90.156 3.1416 4 3 7 32.103 33.018 -0.0000 5 8 1 462.96 446.45 -0.0000 8 5 1 289.03 278.73 -0.0000 2 2 8 655.96 663.00 -0.0000 0 9 3 106.89 109.04 0.0000 6 6 4 702.88 707.58 -0.0000 2 5 7 133.25 133.46 3.1416 5 2 7 171.55 171.81 0.0000 1 3 8 252.63 252.79 3.1416 3 1 8 66.464 66.296 -0.0000 5 6 5 132.38 137.39 -3.1416 6 5 5 329.86 342.40 0.0000 5 7 4 42.286 57.349 -3.1416 7 5 4 107.07 145.41 -0.0000 3 9 2 22.533 30.970 -3.1416 9 3 2 45.088 61.967 -0.0000 2 9 3 681.06 688.19 -3.1416 9 2 3 17.487 17.696 0.0000 6 7 3 663.15 668.74 -3.1416 7 6 3 146.92 148.21 -0.0000 1 7 6 38.969 38.183 3.1416 7 1 6 155.58 152.56 3.1416 5 5 6 192.44 188.60 -0.0000 1 8 5 468.05 480.16 0.0000 8 1 5 361.49 370.77 -0.0000 4 7 5 110.23 113.09 0.0000 7 4 5 225.19 231.09 -3.1416 4 9 1 236.70 222.38 0.0000 9 4 1 89.711 84.238 0.0000 4 6 6 723.48 741.37 3.1416 6 4 6 748.46 766.94 -3.1416 0 4 8 723.37 747.15 0.0000 0 10 0 422.01 402.70 -0.0000 6 8 0 99.378 95.387 0.0000 8 6 0 221.07 212.01 -0.0000 5 8 3 289.41 293.05 -0.0000 8 5 3 223.09 225.89 -3.1416 4 8 4 907.47 912.65 -0.0000 8 4 4 768.13 772.43 0.0000 1 6 7 325.82 327.67 -3.1416 6 1 7 476.92 479.63 3.1416 3 3 8 234.75 233.14 0.0000 1 10 1 294.34 300.87 -3.1416 10 1 1 70.948 72.522 0.0000 1 9 4 75.550 75.283 -3.1416 9 1 4 50.881 50.702 -0.0000 7 7 2 12.665 12.442 0.0000 2 4 8 561.08 566.49 3.1416 4 2 8 32.160 32.460 -0.0000 2 10 0 670.29 668.00 -0.0000 10 2 0 699.75 697.19 0.0000 4 5 7 36.354 35.658 0.0000 5 4 7 100.56 98.651 -0.0000 3 7 6 213.60 210.35 3.1416 7 3 6 108.38 106.66 -3.1416 6 8 2 249.84 257.68 -3.1416 0 10 2 527.81 542.72 -3.1416 8 6 2 513.88 529.91 -3.1416 3 8 5 561.61 569.60 -3.1416 8 3 5 811.44 822.98 0.0000 0 1 9 64.313 65.426 -3.1416 4 9 3 210.08 212.72 3.1416 9 4 3 219.92 222.61 0.0000 3 6 7 214.37 217.94 0.0000 6 3 7 111.46 113.27 3.1416 2 10 2 138.22 136.81 -3.1416 10 2 2 152.11 150.48 0.0000 1 5 8 32.760 31.793 -0.0000 5 1 8 256.20 248.72 3.1416 3 10 1 183.63 187.26 -0.0000 10 3 1 257.37 262.43 -0.0000 1 2 9 120.81 123.59 3.1416 2 1 9 198.04 202.07 -3.1416 3 9 4 132.62 133.48 -3.1416 9 3 4 9.0862 9.1246 3.1416 0 8 6 22.717 22.942 0.0000 5 9 2 4.9196 4.9820 3.1416 9 5 2 56.562 56.961 0.0000 1 10 3 336.70 338.83 3.1416 10 1 3 138.64 139.53 3.1416 0 7 7 171.15 170.40 0.0000 0 9 5 24.936 25.193 0.0000 7 8 1 281.24 291.79 -3.1416 8 7 1 375.85 389.95 0.0000 0 3 9 142.78 138.87 -3.1416 2 8 6 262.07 253.95 3.1416 8 2 6 1014.8 983.23 3.1416 4 4 8 681.97 676.30 -0.0000 4 10 0 267.51 266.56 -3.1416 10 4 0 218.76 217.97 3.1416 2 7 7 118.10 119.35 3.1416 7 2 7 8.9370 9.0832 3.1416 3 5 8 12.144 12.401 0.0000 5 3 8 5.2353 5.3584 -3.1416 2 9 5 328.76 331.62 0.0000 9 2 5 12.928 13.067 -3.1416 6 7 5 455.77 459.00 0.0000 7 6 5 55.109 55.621 -0.0000 6 9 1 141.72 142.23 -0.0000 9 6 1 141.38 141.77 -3.1416 2 3 9 29.045 29.116 0.0000 3 2 9 85.366 85.359 0.0000 7 7 4 62.777 59.237 3.1416 6 6 6 563.45 532.55 -0.0000 0 6 8 152.72 161.36 -0.0000 3 10 3 230.93 232.18 0.0000 10 3 3 213.25 214.35 -3.1416 0 10 4 447.37 450.04 -0.0000 6 8 4 74.680 75.088 -0.0000 8 6 4 198.85 199.78 -0.0000 5 7 6 56.655 56.935 -0.0000 7 5 6 238.85 239.95 -3.1416 4 10 2 577.48 576.00 3.1416 10 4 2 59.373 59.175 -3.1416 5 8 5 391.09 398.36 -0.0000 8 5 5 467.45 475.99 -0.0000 0 11 1 13.434 12.798 -0.0000 1 4 9 202.54 193.81 0.0000 4 1 9 216.71 207.33 0.0000 2 6 8 791.95 779.93 -0.0000 6 2 8 239.17 235.82 0.0000 7 8 3 183.81 186.90 -3.1416 8 7 3 513.41 521.88 -3.1416 2 10 4 555.90 564.83 0.0000 10 2 4 780.89 793.23 -0.0000 5 6 7 34.880 35.288 -0.0000 6 5 7 206.00 208.94 -3.1416 2 11 1 49.353 49.563 -0.0000 11 2 1 259.51 260.32 -3.1416 5 10 1 470.00 471.54 3.1416 10 5 1 407.52 408.89 -0.0000 5 9 4 106.30 104.51 -0.0000 9 5 4 67.592 66.443 0.0000 4 8 6 7.9545 7.9109 3.1416 8 4 6 19.530 19.492 0.0000 1 11 2 29.901 32.954 -3.1416 11 1 2 59.806 65.848 3.1416 8 8 0 288.50 296.05 0.0000 6 9 3 228.92 220.06 3.1416 9 6 3 99.609 95.714 -3.1416 1 8 7 551.06 531.55 -0.0000 4 7 7 24.002 23.153 3.1416 8 1 7 204.65 197.51 3.1416 7 4 7 400.74 386.56 3.1416 1 9 6 21.654 20.854 -3.1416 9 1 6 200.35 192.88 -3.1416 4 9 5 76.730 79.943 0.0000 9 4 5 31.298 32.595 -0.0000 0 5 9 102.84 96.537 -0.0000 3 4 9 439.22 412.14 3.1416 4 3 9 172.57 161.92 -0.0000 1 1 10 7.9267 7.6391 -3.1416 0 11 3 36.328 37.870 -3.1416 8 8 2 76.457 80.695 -3.1416 1 7 8 47.322 46.935 3.1416 7 1 8 59.237 58.958 0.0000 5 5 8 10.071 9.8981 -3.1416 1 10 5 160.52 156.34 3.1416 10 1 5 89.821 87.523 0.0000 0 2 10 748.27 759.47 3.1416 2 5 9 198.90 200.00 0.0000 5 2 9 28.925 29.068 3.1416 3 11 2 21.940 21.865 3.1416 11 3 2 35.021 34.875 -3.1416 7 9 2 94.393 94.198 -3.1416 9 7 2 31.104 31.021 -0.0000 4 6 8 103.23 102.63 -0.0000 6 4 8 49.329 48.984 0.0000 6 10 0 370.07 380.01 -0.0000 10 6 0 660.57 678.27 0.0000 2 11 3 147.04 149.23 3.1416 5 10 3 394.14 400.99 3.1416 11 2 3 359.94 365.26 3.1416 10 5 3 499.43 508.12 3.1416 4 10 4 227.05 230.34 3.1416 10 4 4 239.07 242.55 -3.1416 3 8 7 299.75 303.21 -3.1416 8 3 7 357.52 361.80 3.1416 3 9 6 6.2819 6.3502 3.1416 9 3 6 163.70 165.04 -0.0000 4 11 1 148.97 155.28 0.0000 11 4 1 75.380 78.467 3.1416 2 2 10 39.045 40.914 -3.1416 1 3 10 105.99 95.054 -0.0000 3 1 10 78.621 70.824 -3.1416 6 10 2 72.160 72.574 -0.0000 10 6 2 635.07 638.90 0.0000 3 7 8 143.05 143.44 0.0000 7 3 8 49.840 49.890 -3.1416 3 10 5 31.085 30.812 3.1416 10 3 5 410.25 406.67 0.0000 1 6 9 86.471 88.075 0.0000 6 1 9 106.57 108.50 -3.1416 1 11 4 88.482 89.636 0.0000 11 1 4 142.11 143.96 3.1416 0 12 0 82.575 89.550 3.1416 0 9 7 78.114 76.871 -0.0000 7 7 6 0.77330 0.78397 3.1416 7 8 5 249.95 250.12 3.1416 8 7 5 328.91 329.09 -0.0000 1 12 1 296.05 300.35 0.0000 12 1 1 720.90 731.35 0.0000 8 9 1 185.22 188.72 0.0000 9 8 1 225.29 229.46 -0.0000 0 4 10 177.76 180.59 3.1416 4 5 9 547.84 557.44 -0.0000 5 4 9 206.42 210.09 -0.0000 0 10 6 530.79 534.86 -3.1416 6 8 6 200.17 201.90 -3.1416 8 6 6 483.45 487.58 -3.1416 0 8 8 615.21 604.48 -0.0000 2 12 0 194.80 199.20 -0.0000 12 2 0 316.59 323.72 3.1416 3 3 10 88.069 94.444 -3.1416 4 11 3 149.52 147.64 -3.1416 11 4 3 64.895 63.975 3.1416 8 8 4 222.09 214.10 -0.0000 2 9 7 649.91 627.68 3.1416 9 2 7 11.715 11.397 0.0000 6 7 7 584.01 564.33 -3.1416 7 6 7 159.56 154.26 0.0000 0 12 2 96.221 91.770 3.1416 6 9 5 32.503 32.998 3.1416 9 6 5 118.44 120.31 3.1416 7 10 1 303.03 299.49 0.0000 10 7 1 36.582 36.126 3.1416 2 4 10 657.75 656.05 3.1416 4 2 10 737.00 735.16 3.1416 3 6 9 137.93 139.28 -0.0000 6 3 9 207.44 209.44 0.0000 3 11 4 46.910 47.366 0.0000 11 3 4 116.41 117.64 0.0000 7 9 4 36.922 37.292 0.0000 9 7 4 56.334 56.926 0.0000 2 10 6 135.68 136.71 3.1416 10 2 6 231.99 233.73 -0.0000 5 11 2 52.112 52.365 -0.0000 11 5 2 20.703 20.787 0.0000 2 8 8 222.48 222.80 0.0000 8 2 8 306.88 307.43 -3.1416 5 8 7 214.72 209.06 0.0000 8 5 7 177.81 173.18 3.1416 5 9 6 15.518 15.097 -0.0000 9 5 6 94.106 92.115 -0.0000 2 12 2 464.93 469.77 -3.1416 12 2 2 491.61 496.75 -3.1416 0 11 5 38.844 40.836 -0.0000 3 12 1 474.66 458.51 -3.1416 12 3 1 378.88 365.89 -0.0000 0 7 9 224.61 216.30 0.0000 6 6 8 543.34 560.57 0.0000 1 5 10 15.271 14.682 3.1416 5 1 10 66.821 64.250 0.0000 1 12 3 253.17 258.90 0.0000 12 1 3 536.89 548.91 3.1416 8 9 3 257.69 264.57 3.1416 9 8 3 241.37 247.81 -0.0000 6 10 4 254.32 260.48 -0.0000 10 6 4 555.55 569.04 -0.0000 5 7 8 89.768 90.208 3.1416 7 5 8 221.56 222.67 0.0000 2 11 5 16.157 16.646 3.1416 11 2 5 113.91 117.32 3.1416 5 10 5 308.29 317.52 3.1416 10 5 5 427.06 439.87 -0.0000 6 11 1 587.44 572.73 -0.0000 11 6 1 290.80 283.47 -0.0000 2 7 9 273.10 262.31 -0.0000 7 2 9 118.01 113.41 -3.1416 0 1 11 96.799 93.165 -3.1416 4 12 0 82.560 90.157 0.0000 12 4 0 442.58 483.15 -0.0000 7 10 3 235.58 225.09 0.0000 10 7 3 128.35 122.67 3.1416 4 9 7 237.10 224.28 3.1416 9 4 7 237.25 224.34 -0.0000 4 4 10 158.88 175.94 -3.1416 1 2 11 20.336 20.368 0.0000 2 1 11 412.62 413.52 3.1416 4 10 6 413.68 402.29 3.1416 10 4 6 168.69 164.02 3.1416 4 8 8 732.35 707.70 -0.0000 8 4 8 582.48 562.93 -0.0000 8 10 0 268.83 268.11 -3.1416 10 8 0 378.63 377.62 3.1416 3 5 10 20.382 20.437 3.1416 5 3 10 98.077 98.892 -3.1416 3 12 3 344.57 352.25 -3.1416 12 3 3 307.87 314.67 3.1416 0 12 4 69.541 70.802 0.0000 1 10 7 340.06 346.02 3.1416 10 1 7 189.52 192.86 3.1416 4 12 2 493.82 494.13 3.1416 12 4 2 380.68 380.96 -0.0000 1 9 8 84.382 84.353 -3.1416 9 1 8 49.399 49.327 -0.0000 0 6 10 532.53 536.38 -3.1416 5 6 9 162.54 163.83 3.1416 6 5 9 293.73 296.25 0.0000 0 3 11 210.71 212.44 -3.1416 5 11 4 2.9213 2.9467 3.1416 11 5 4 43.737 44.219 3.1416 9 9 2 63.975 63.804 -0.0000 6 11 3 490.93 485.88 -3.1416 11 6 3 273.69 270.84 -0.0000 2 12 4 246.21 242.17 0.0000 12 2 4 389.93 383.57 3.1416 1 11 6 103.31 101.12 -3.1416 11 1 6 90.105 87.912 3.1416 8 10 2 822.47 785.55 -3.1416 10 8 2 215.69 205.97 3.1416 4 11 5 52.509 51.678 -0.0000 11 4 5 67.918 66.740 3.1416 5 12 1 478.27 477.89 0.0000 0 13 1 103.87 103.85 -0.0000 12 5 1 559.91 559.50 0.0000 2 6 10 188.29 188.41 3.1416 6 2 10 83.431 83.561 -0.0000 1 8 9 255.04 257.74 -0.0000 8 1 9 272.45 275.32 -0.0000 4 7 9 238.05 240.50 -0.0000 7 4 9 57.146 57.706 -3.1416 2 3 11 271.00 275.41 -3.1416 3 2 11 160.33 162.89 3.1416 3 10 7 339.04 328.41 0.0000 10 3 7 167.50 162.27 3.1416 3 9 8 228.74 220.04 -3.1416 9 3 8 21.800 21.003 -0.0000 2 13 1 333.89 332.27 0.0000 13 2 1 116.77 116.22 -3.1416 1 4 11 259.25 268.01 0.0000 4 1 11 252.60 261.18 3.1416 8 8 6 104.06 107.87 -3.1416 1 13 2 105.03 106.02 -0.0000 13 1 2 45.645 46.097 0.0000 7 11 2 11.249 11.367 3.1416 11 7 2 109.07 110.30 3.1416 7 8 7 101.14 100.29 -3.1416 8 7 7 503.29 498.79 3.1416 3 11 6 47.185 46.421 3.1416 11 3 6 135.25 133.08 -3.1416 7 9 6 256.31 252.24 3.1416 9 7 6 32.062 31.488 0.0000 1 12 5 160.87 159.70 0.0000 12 1 5 631.47 626.90 0.0000 8 9 5 141.02 140.20 0.0000 9 8 5 112.38 111.69 0.0000 3 8 9 497.82 486.47 -3.1416 8 3 9 570.03 557.10 -0.0000 6 12 0 38.170 37.368 -0.0000 12 6 0 437.40 428.21 -3.1416 1 7 10 34.538 33.786 3.1416 7 1 10 160.93 157.51 -3.1416 5 5 10 201.31 196.89 0.0000 0 13 3 137.13 138.00 -3.1416 5 12 3 316.75 318.80 0.0000 12 5 3 561.65 565.42 3.1416 4 12 4 57.124 57.503 0.0000 12 4 4 437.85 440.76 0.0000 6 9 7 294.20 295.97 -3.1416 9 6 7 148.23 149.11 3.1416 7 7 8 87.745 85.936 -3.1416 7 10 5 150.73 150.26 -0.0000 10 7 5 88.489 88.262 -0.0000 9 10 1 311.65 316.39 3.1416 10 9 1 431.42 437.87 -0.0000 4 6 10 602.11 612.09 3.1416 6 4 10 439.00 446.33 3.1416 0 5 11 265.76 267.57 0.0000 3 4 11 73.669 74.235 0.0000 4 3 11 36.661 36.953 3.1416 9 9 4 61.886 62.057 -3.1416 6 10 6 56.514 56.567 -0.0000 10 6 6 460.57 461.28 0.0000 3 13 2 2.2265 2.2155 3.1416 13 3 2 10.639 10.643 0.0000 0 10 8 292.92 293.96 0.0000 6 8 8 8.2483 8.3264 0.0000 8 6 8 74.729 74.957 -0.0000 2 13 3 308.99 305.16 -3.1416 13 2 3 74.565 73.635 3.1416 8 10 4 191.35 188.44 -3.1416 10 8 4 251.98 248.20 -3.1416 0 11 7 101.74 99.983 3.1416 6 12 2 363.32 356.19 3.1416 12 6 2 490.17 480.51 -3.1416 3 12 5 315.42 312.88 3.1416 12 3 5 340.07 337.30 0.0000 4 13 1 22.566 23.177 -3.1416 13 4 1 23.561 24.196 -0.0000 8 11 1 105.81 108.65 -0.0000 11 8 1 190.42 195.61 -3.1416 0 9 9 73.117 74.204 -0.0000 2 5 11 105.04 104.99 3.1416 5 2 11 140.96 140.84 0.0000 2 10 8 458.80 452.52 -0.0000 10 2 8 594.86 586.62 -0.0000 0 0 12 1030.3 1020.7 0.0000 3 7 10 237.61 241.88 -3.1416 7 3 10 104.26 106.07 3.1416 2 11 7 203.45 211.23 -3.1416 11 2 7 335.01 347.75 -3.1416 5 10 7 260.86 270.59 3.1416 10 5 7 426.35 442.63 -3.1416 5 9 8 122.63 124.84 0.0000 9 5 8 90.282 91.889 -0.0000 6 11 5 416.47 417.16 0.0000 11 6 5 233.09 233.48 0.0000 1 1 12 171.43 170.32 3.1416 2 9 9 133.43 127.37 0.0000 9 2 9 6.9344 6.6025 3.1416 6 7 9 317.20 302.80 0.0000 7 6 9 44.201 42.194 -0.0000 1 13 4 61.742 59.795 0.0000 13 1 4 9.8727 9.5933 0.0000 7 11 4 22.975 22.272 0.0000 11 7 4 71.058 68.896 -0.0000 0 12 6 178.30 173.42 -3.1416 0 2 12 54.434 52.704 0.0000 9 10 3 274.71 287.15 3.1416 10 9 3 464.98 485.90 3.1416 5 11 6 178.59 186.30 -0.0000 11 5 6 36.433 38.021 -0.0000 7 12 1 248.88 246.96 3.1416 12 7 1 228.00 226.20 -0.0000 0 8 10 81.200 80.941 3.1416 5 8 9 348.69 353.26 -0.0000 8 5 9 390.77 395.84 0.0000 1 6 11 289.62 295.67 -3.1416 6 1 11 364.28 371.92 3.1416 2 12 6 393.75 402.65 -3.1416 12 2 6 472.27 483.00 3.1416 2 2 12 577.98 585.19 0.0000 0 14 0 38.026 39.338 0.0000 4 13 3 94.719 91.373 0.0000 13 4 3 30.631 29.564 -0.0000 8 11 3 62.632 59.920 3.1416 11 8 3 124.76 119.36 3.1416 1 3 12 200.11 209.72 3.1416 3 1 12 76.400 79.696 0.0000 1 14 1 180.99 177.44 3.1416 14 1 1 363.86 356.59 0.0000 2 8 10 365.31 357.68 -3.1416 8 2 10 563.14 551.33 -3.1416 4 5 11 84.723 83.314 0.0000 5 4 11 25.221 24.816 -0.0000 3 13 4 5.6171 5.5306 -3.1416 13 3 4 130.44 128.71 0.0000 5 13 2 31.636 31.342 3.1416 13 5 2 17.711 17.521 -0.0000 4 10 8 122.55 121.54 -3.1416 10 4 8 204.14 202.46 3.1416 2 14 0 365.63 358.17 -0.0000 14 2 0 302.96 296.77 0.0000 10 10 0 76.729 75.195 -0.0000 6 12 4 23.161 23.114 -0.0000 12 6 4 327.64 326.96 -3.1416 4 11 7 174.55 174.51 -3.1416 11 4 7 80.053 79.996 3.1416 0 14 2 372.91 384.70 -3.1416 0 13 5 143.84 149.75 -0.0000 5 12 5 376.91 392.07 -0.0000 12 5 5 454.40 472.79 0.0000 6 6 10 240.55 239.74 0.0000 4 9 9 125.61 126.82 -0.0000 9 4 9 8.2351 8.3435 -3.1416 3 6 11 138.08 140.92 0.0000 6 3 11 55.500 56.725 3.1416 0 4 12 591.23 573.98 -0.0000 5 7 10 45.593 45.234 -0.0000 7 5 10 277.71 275.29 3.1416 7 12 3 218.94 220.65 -3.1416 12 7 3 364.48 367.40 -3.1416 2 14 2 245.73 246.66 3.1416 14 2 2 483.94 485.80 0.0000 10 10 2 62.508 62.536 0.0000 1 11 8 158.45 160.58 -0.0000 11 1 8 151.14 153.14 -3.1416 2 13 5 307.92 315.26 -0.0000 13 2 5 126.47 129.46 -3.1416 3 3 12 230.65 238.56 -0.0000 3 14 1 381.93 384.96 0.0000 6 13 1 351.97 354.34 0.0000 14 3 1 374.09 377.02 0.0000 13 6 1 63.767 64.217 3.1416 1 10 9 137.56 137.05 3.1416 10 1 9 88.658 88.359 0.0000 0 7 11 176.96 175.65 -0.0000 4 12 6 384.58 379.44 -3.1416 12 4 6 332.97 328.60 -0.0000 9 11 2 9.9187 9.7392 -3.1416 11 9 2 15.896 15.634 -3.1416 2 4 12 129.46 132.17 3.1416 4 2 12 12.687 12.971 -0.0000 8 12 0 181.70 184.53 0.0000 12 8 0 240.11 243.97 0.0000 1 14 3 134.86 130.80 3.1416 14 1 3 279.62 271.08 3.1416 1 12 7 250.32 242.54 0.0000 8 9 7 303.88 294.84 3.1416 12 1 7 354.18 343.10 3.1416 9 8 7 214.85 208.43 -0.0000 9 9 6 175.41 169.93 -0.0000 4 8 10 58.193 64.866 -3.1416 8 4 10 18.288 20.400 -0.0000 2 7 11 93.578 99.468 3.1416 7 2 11 70.563 74.956 0.0000 8 10 6 584.62 598.74 -3.1416 10 8 6 150.78 154.41 3.1416 8 8 8 260.65 247.10 -0.0000 4 14 0 81.612 77.424 -0.0000 14 4 0 140.44 133.40 -3.1416 1 9 10 19.293 18.687 3.1416 9 1 10 214.53 207.51 -3.1416 7 10 7 245.32 242.40 0.0000 10 7 7 242.17 239.37 3.1416 8 12 2 117.65 118.12 -3.1416 12 8 2 49.727 49.812 3.1416 3 11 8 60.225 61.458 -0.0000 7 9 8 50.703 51.726 0.0000 11 3 8 151.61 154.91 0.0000 9 7 8 78.077 79.706 0.0000 9 10 5 172.34 177.98 -3.1416 10 9 5 434.67 448.86 0.0000 1 5 12 38.674 40.380 0.0000 5 1 12 210.28 219.66 3.1416 3 10 9 47.745 50.426 0.0000 10 3 9 337.49 356.46 -0.0000 5 13 4 177.36 181.30 -0.0000 13 5 4 77.007 78.688 0.0000 3 14 3 379.68 395.47 0.0000 14 3 3 248.77 259.10 -3.1416 6 13 3 207.96 216.77 -3.1416 13 6 3 8.8627 9.2415 0.0000 0 14 4 103.60 107.23 -0.0000 3 12 7 253.11 261.53 -3.1416 12 3 7 244.75 252.88 3.1416 1 13 6 180.08 185.42 0.0000 7 11 6 1.6792 1.7401 0.0000 13 1 6 66.152 68.141 -0.0000 11 7 6 235.06 242.37 3.1416 4 14 2 214.87 215.27 -3.1416 14 4 2 39.671 39.806 3.1416 8 11 5 135.95 130.21 0.0000 4 13 5 71.684 68.774 -0.0000 13 4 5 12.957 12.399 -3.1416 11 8 5 116.15 111.30 -3.1416 7 8 9 292.09 294.77 3.1416 8 7 9 160.69 162.23 -0.0000 5 6 11 37.724 38.371 -0.0000 6 5 11 174.30 177.58 3.1416 6 10 8 297.47 303.55 0.0000 10 6 8 431.63 440.51 0.0000 4 4 12 529.55 538.34 0.0000 3 9 10 19.483 19.432 -3.1416 9 3 10 194.09 193.10 -0.0000 2 14 4 394.72 391.62 0.0000 14 2 4 341.47 338.86 0.0000 10 10 4 53.511 53.094 0.0000 6 11 7 346.24 343.79 -3.1416 11 6 7 168.24 167.00 -0.0000 0 1 13 25.790 26.074 -3.1416 3 5 12 40.739 41.133 -0.0000 5 3 12 4.4765 4.5433 3.1416 5 14 1 226.92 228.46 -3.1416 14 5 1 37.671 37.938 -0.0000 10 11 1 248.83 249.58 -0.0000 11 10 1 289.37 290.27 -0.0000 6 9 9 27.860 27.650 0.0000 9 6 9 112.43 111.37 -3.1416 1 8 11 347.40 342.27 0.0000 8 1 11 104.04 102.59 -3.1416 4 7 11 101.35 99.864 3.1416 7 4 11 254.27 250.56 3.1416 9 11 4 93.265 91.817 -0.0000 11 9 4 16.596 16.321 3.1416 7 13 2 18.420 18.184 3.1416 13 7 2 29.971 29.661 -0.0000 0 6 12 149.54 153.21 0.0000 3 13 6 5.3524 5.3050 0.0000 13 3 6 43.714 43.238 -0.0000 1 2 13 122.45 119.54 3.1416 2 1 13 170.87 166.79 3.1416 7 12 5 242.81 236.80 3.1416 12 7 5 180.80 176.37 0.0000 0 15 1 61.354 61.634 -3.1416 9 12 1 190.52 191.89 0.0000 12 9 1 203.50 204.81 -0.0000 0 11 9 13.625 13.734 0.0000 6 12 6 276.15 274.20 -3.1416 12 6 6 352.26 349.80 3.1416 0 12 8 121.26 117.26 0.0000 2 6 12 568.04 554.69 0.0000 6 2 12 304.11 296.98 -0.0000 7 7 10 0.74272 0.70584 -0.0000 8 12 4 163.91 167.27 -0.0000 12 8 4 159.84 163.21 -0.0000 0 3 13 122.04 130.31 -3.1416 5 11 8 29.044 31.091 3.1416 11 5 8 64.013 68.481 3.1416 1 14 5 91.485 97.277 -3.1416 14 1 5 247.66 263.37 -0.0000 2 15 1 151.30 152.15 0.0000 15 2 1 36.699 36.895 -3.1416 6 8 10 298.89 300.44 3.1416 0 10 10 363.28 365.20 3.1416 8 6 10 378.77 380.78 -3.1416 2 11 9 14.836 14.801 3.1416 11 2 9 16.782 16.802 0.0000 5 10 9 363.55 362.85 3.1416 10 5 9 259.68 259.27 0.0000 3 8 11 188.54 186.42 -3.1416 8 3 11 106.97 105.77 -3.1416 1 15 2 18.055 17.316 -3.1416 15 1 2 29.606 28.463 3.1416 2 12 8 206.93 198.97 0.0000 12 2 8 295.18 283.87 3.1416 6 14 0 374.18 388.10 0.0000 14 6 0 231.35 239.89 -0.0000 5 14 3 272.51 275.83 -3.1416 14 5 3 65.398 66.254 -3.1416 10 11 3 170.71 172.40 3.1416 11 10 3 290.74 293.65 0.0000 4 14 4 86.522 86.278 -0.0000 14 4 4 87.546 87.466 3.1416 0 13 7 81.058 80.884 3.1416 5 12 7 261.11 260.22 -0.0000 12 5 7 493.19 491.72 3.1416 2 3 13 13.358 12.737 3.1416 3 2 13 104.33 99.741 0.0000 8 13 1 423.37 436.88 -0.0000 13 8 1 89.622 92.436 -0.0000 2 10 10 98.769 101.98 -3.1416 10 2 10 123.11 127.13 0.0000 5 9 10 14.477 13.879 0.0000 9 5 10 126.58 121.88 0.0000 0 15 3 110.95 112.88 0.0000 9 12 3 159.51 162.84 0.0000 12 9 3 234.26 239.01 3.1416 2 13 7 250.08 257.12 -3.1416 13 2 7 33.407 34.313 0.0000 6 14 2 13.306 13.717 -0.0000 14 6 2 380.22 391.30 -0.0000 1 4 13 121.56 123.78 -0.0000 4 1 13 126.17 128.37 0.0000 3 14 5 272.43 270.15 0.0000 14 3 5 304.42 301.95 0.0000 6 13 5 323.83 320.69 -0.0000 13 6 5 82.044 81.299 3.1416 1 7 12 36.091 35.610 -3.1416 5 5 12 22.227 22.064 -0.0000 7 1 12 36.125 35.645 -0.0000 0 9 11 63.925 65.020 -0.0000 7 13 4 41.949 42.805 3.1416 13 7 4 68.951 70.432 3.1416 3 15 2 17.327 17.924 -0.0000 15 3 2 42.048 43.520 -0.0000 4 6 12 69.509 76.900 -0.0000 6 4 12 20.505 22.647 0.0000 2 15 3 180.29 150.39 3.1416 15 2 3 84.365 70.356 -3.1416 5 13 6 39.271 33.161 3.1416 13 5 6 88.415 74.682 0.0000 4 15 1 376.72 377.40 -0.0000 15 4 1 148.68 148.98 0.0000 4 11 9 72.667 72.545 0.0000 11 4 9 40.756 40.645 3.1416 2 9 11 472.29 471.76 3.1416 9 2 11 25.792 25.827 0.0000 6 7 11 411.49 411.04 3.1416 7 6 11 147.25 147.11 -0.0000 0 14 6 398.68 399.85 -3.1416 4 12 8 117.91 117.76 -0.0000 12 4 8 344.93 344.52 -0.0000 10 12 0 59.898 59.559 3.1416 12 10 0 232.05 230.67 -3.1416 8 13 3 361.33 358.69 -3.1416 13 8 3 85.238 84.498 0.0000 9 10 7 276.55 275.57 -3.1416 10 9 7 421.02 419.44 3.1416 0 5 13 164.13 167.95 -0.0000 3 4 13 290.37 297.09 3.1416 4 3 13 165.90 169.81 0.0000 9 9 8 64.665 66.587 -3.1416 3 7 12 154.91 161.34 0.0000 7 3 12 29.284 30.527 -3.1416 7 14 1 427.70 437.72 0.0000 14 7 1 347.30 355.41 0.0000 4 10 10 400.64 410.02 3.1416 10 4 10 192.88 197.35 -3.1416 5 8 11 148.24 149.49 -0.0000 8 5 11 57.060 57.575 3.1416 1 15 4 124.69 125.22 -0.0000 15 1 4 23.374 23.456 -0.0000 2 14 6 256.62 257.16 3.1416 10 10 6 41.133 41.204 0.0000 14 2 6 426.21 427.19 0.0000 11 11 2 27.657 27.413 3.1416 8 10 8 139.85 139.44 3.1416 10 8 8 211.53 210.93 -3.1416 4 13 7 104.45 94.242 -0.0000 8 11 7 74.548 67.314 -3.1416 13 4 7 68.105 61.439 -0.0000 11 8 7 175.40 158.36 -3.1416 9 11 6 67.808 60.669 -3.1416 11 9 6 81.097 72.596 3.1416 10 12 2 91.459 80.162 -0.0000 12 10 2 450.07 394.34 -3.1416 2 5 13 118.60 101.63 -0.0000 5 2 13 96.033 82.187 -3.1416 0 0 0 3828.2 3828.2 0.0000 _diffrn_ambient_temperature ? _diffrn_radiation_probe x-ray loop_ _diffrn_radiation_wavelength _diffrn_radiation_wavelength_wt 1.7890 1.0000 1.7929 0.5000 _pd_char_colour ? _pd_meas_2theta_range_min 6.0066 _pd_meas_2theta_range_max 109.9900 _pd_meas_2theta_range_inc 0.0131 _computing_structure_refinement DDM _refine_ls_number_parameters 39 _refine_ls_number_restraints 0 _refine_ls_hydrogen_treatment ? _refine_ls_matrix_type full _refine_ls_shift/su_max 1.26132 _refine_ls_R_I_factor 0.03315 _refine_ls_R_factor_all 0.02013 _pd_proc_ls_prof_wR_factor 0.05648 _pd_proc_ls_prof_wR_expected 0.02647 _refine_ls_goodness_of_fit_all 2.13338 _pd_block_id profile