 
data_shelx
 
_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'Cl F0.50 O1.50 Pb2' 
_chemical_formula_weight          483.33

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'Pb'  'Pb'  -3.3944  10.1111
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl'  'Cl'   0.1484   0.1585
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       tetragonal
_space_group_IT_number            132
_space_group_name_H-M_alt         'P 42/m c m'
_space_group_name_Hall            '-P 4c 2c'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, z'
 '-y, x, z+1/2'
 'y, -x, z+1/2'
 '-x, y, -z+1/2'
 'x, -y, -z+1/2'
 'y, x, -z'
 '-y, -x, -z'
 '-x, -y, -z'
 'x, y, -z'
 'y, -x, -z-1/2'
 '-y, x, -z-1/2'
 'x, -y, z-1/2'
 '-x, y, z-1/2'
 '-y, -x, z'
 'y, x, z'
 
_cell_length_a                    5.7418(11)
_cell_length_b                    5.7418(11)
_cell_length_c                    12.524(4)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 90
_cell_volume                      412.9(2)
_cell_formula_units_Z             4
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     197
_cell_measurement_theta_min       3.548
_cell_measurement_theta_max       27.971
 
_exptl_crystal_description        'plate'
_exptl_crystal_colour             ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     7.775          
_exptl_crystal_F_000              790
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_absorpt_coefficient_mu     81.909
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'Bruker Apex 2 Duo'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             2961
_diffrn_reflns_av_unetI/netI      0.0296
_diffrn_reflns_av_R_equivalents   0.0510
_diffrn_reflns_limit_h_min        -7
_diffrn_reflns_limit_h_max        6
_diffrn_reflns_limit_k_min        -7
_diffrn_reflns_limit_k_max        7
_diffrn_reflns_limit_l_min        -15
_diffrn_reflns_limit_l_max        16
_diffrn_reflns_theta_min          3.548
_diffrn_reflns_theta_max          27.971
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.997
_diffrn_measured_fraction_theta_full  0.996
_diffrn_reflns_Laue_measured_fraction_max    0.997
_diffrn_reflns_Laue_measured_fraction_full   0.996
_diffrn_reflns_point_group_measured_fraction_max   0.997
_diffrn_reflns_point_group_measured_fraction_full  0.996
_reflns_number_total              300
_reflns_number_gt                 222
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0417P)²+0.1960P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    .
_refine_ls_hydrogen_treatment     undef
_refine_ls_extinction_method      'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef        0.0008(2)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          300
_refine_ls_number_parameters      20
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0352
_refine_ls_R_factor_gt            0.0240
_refine_ls_wR_factor_ref          0.0701
_refine_ls_wR_factor_gt           0.0629
_refine_ls_goodness_of_fit_ref    1.090
_refine_ls_restrained_S_all       1.090
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
 
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_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Pb1 Pb 0.73266(7) 0.73266(7) 0.35353(4) 0.0180(3) Uani 1 2 d S T P . .
Cl1 Cl 0.7348(5) 0.2652(5) 0.500000 0.0287(12) Uani 1 4 d S T P . .
F1 F 0.000000 0.000000 0.250000 0.019(7) Uani 1 8 d S T P . .
OF1 O 0.000000 0.500000 0.250000 0.018(6) Uani 1 4 d S T P . .
O1 O 0.500000 0.500000 0.250000 0.014(8) Uani 1 8 d S T P . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
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
Pb1 O1 2.2915(6) . ?
Pb1 OF1 2.4129(5) 11_566 ?
Pb1 OF1 2.4129(5) 1_655 ?
Pb1 F1 2.5286(7) 1_665 ?
Pb1 Cl1 3.251(2) . ?
Pb1 Cl1 3.251(2) 9_666 ?
Pb1 Cl1 3.566(2) 9_766 ?
Pb1 Cl1 3.566(2) 1_565 ?
Pb1 Pb1 3.6689(14) 10_556 ?
Pb1 Pb1 3.7235(10) 12_656 ?
Pb1 Pb1 3.7235(11) 11_566 ?
Pb1 Pb1 3.7785(13) 2_665 ?
Pb1 Pb1 4.0188(11) 12_756 ?
Pb1 Pb1 4.0188(11) 11_576 ?
Cl1 O1 3.666(2) 9_666 ?
Cl1 O1 3.666(2) . ?
Cl1 OF1 3.7337(8) 9_666 ?
Cl1 OF1 3.7337(8) 11_556 ?
Cl1 OF1 3.7337(8) 1_655 ?
Cl1 OF1 3.7337(8) 3_655 ?
 
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
O1 Pb1 OF1 75.167(15) . 11_566 ?
O1 Pb1 OF1 75.167(15) . 1_655 ?
OF1 Pb1 OF1 114.56(3) 11_566 1_655 ?
O1 Pb1 F1 114.68(3) . 1_665 ?
OF1 Pb1 F1 70.994(15) 11_566 1_665 ?
OF1 Pb1 F1 70.994(15) 1_655 1_665 ?
O1 Pb1 Cl1 80.80(2) . . ?
OF1 Pb1 Cl1 146.15(5) 11_566 . ?
OF1 Pb1 Cl1 81.01(5) 1_655 . ?
F1 Pb1 Cl1 142.02(5) 1_665 . ?
O1 Pb1 Cl1 80.80(2) . 9_666 ?
OF1 Pb1 Cl1 81.01(6) 11_566 9_666 ?
OF1 Pb1 Cl1 146.15(5) 1_655 9_666 ?
F1 Pb1 Cl1 142.02(5) 1_665 9_666 ?
Cl1 Pb1 Cl1 71.81(11) . 9_666 ?
O1 Pb1 Cl1 142.47(5) . 9_766 ?
OF1 Pb1 Cl1 138.51(4) 11_566 9_766 ?
OF1 Pb1 Cl1 74.51(5) 1_655 9_766 ?
F1 Pb1 Cl1 75.00(2) 1_665 9_766 ?
Cl1 Pb1 Cl1 73.102(12) . 9_766 ?
Cl1 Pb1 Cl1 114.69(2) 9_666 9_766 ?
O1 Pb1 Cl1 142.47(5) . 1_565 ?
OF1 Pb1 Cl1 74.51(5) 11_566 1_565 ?
OF1 Pb1 Cl1 138.51(4) 1_655 1_565 ?
F1 Pb1 Cl1 75.00(2) 1_665 1_565 ?
Cl1 Pb1 Cl1 114.69(2) . 1_565 ?
Cl1 Pb1 Cl1 73.102(11) 9_666 1_565 ?
Cl1 Pb1 Cl1 74.30(10) 9_766 1_565 ?
O1 Pb1 Pb1 124.465(16) . 10_556 ?
OF1 Pb1 Pb1 122.507(13) 11_566 10_556 ?
OF1 Pb1 Pb1 122.507(13) 1_655 10_556 ?
F1 Pb1 Pb1 120.851(14) 1_665 10_556 ?
Cl1 Pb1 Pb1 55.65(3) . 10_556 ?
Cl1 Pb1 Pb1 55.65(3) 9_666 10_556 ?
Cl1 Pb1 Pb1 59.04(3) 9_766 10_556 ?
Cl1 Pb1 Pb1 59.04(3) 1_565 10_556 ?
O1 Pb1 Pb1 35.662(8) . 12_656 ?
OF1 Pb1 Pb1 39.505(13) 11_566 12_656 ?
OF1 Pb1 Pb1 94.71(2) 1_655 12_656 ?
F1 Pb1 Pb1 94.50(2) 1_665 12_656 ?
Cl1 Pb1 Pb1 113.31(2) . 12_656 ?
Cl1 Pb1 Pb1 78.50(4) 9_666 12_656 ?
Cl1 Pb1 Pb1 166.81(3) 9_766 12_656 ?
Cl1 Pb1 Pb1 111.15(5) 1_565 12_656 ?
Pb1 Pb1 Pb1 134.147(17) 10_556 12_656 ?
O1 Pb1 Pb1 35.662(8) . 11_566 ?
OF1 Pb1 Pb1 94.71(2) 11_566 11_566 ?
OF1 Pb1 Pb1 39.505(13) 1_655 11_566 ?
F1 Pb1 Pb1 94.50(2) 1_665 11_566 ?
Cl1 Pb1 Pb1 78.50(4) . 11_566 ?
Cl1 Pb1 Pb1 113.31(2) 9_666 11_566 ?
Cl1 Pb1 Pb1 111.15(5) 9_766 11_566 ?
Cl1 Pb1 Pb1 166.81(3) 1_565 11_566 ?
Pb1 Pb1 Pb1 134.147(17) 10_556 11_566 ?
Pb1 Pb1 Pb1 60.98(2) 12_656 11_566 ?
O1 Pb1 Pb1 34.464(16) . 2_665 ?
OF1 Pb1 Pb1 93.344(13) 11_566 2_665 ?
OF1 Pb1 Pb1 93.344(13) 1_655 2_665 ?
F1 Pb1 Pb1 149.148(14) 1_665 2_665 ?
Cl1 Pb1 Pb1 54.47(3) . 2_665 ?
Cl1 Pb1 Pb1 54.47(3) 9_666 2_665 ?
Cl1 Pb1 Pb1 127.50(3) 9_766 2_665 ?
Cl1 Pb1 Pb1 127.50(3) 1_565 2_665 ?
Pb1 Pb1 Pb1 90.001(1) 10_556 2_665 ?
Pb1 Pb1 Pb1 59.509(9) 12_656 2_665 ?
Pb1 Pb1 Pb1 59.509(10) 11_566 2_665 ?
O1 Pb1 Pb1 94.60(2) . 12_756 ?
OF1 Pb1 Pb1 94.37(2) 11_566 12_756 ?
OF1 Pb1 Pb1 33.617(13) 1_655 12_756 ?
F1 Pb1 Pb1 37.376(7) 1_665 12_756 ?
Cl1 Pb1 Pb1 111.18(6) . 12_756 ?
Cl1 Pb1 Pb1 174.16(4) 9_666 12_756 ?
Cl1 Pb1 Pb1 71.15(3) 9_766 12_756 ?
Cl1 Pb1 Pb1 109.23(3) 1_565 12_756 ?
Pb1 Pb1 Pb1 130.189(16) 10_556 12_756 ?
Pb1 Pb1 Pb1 95.66(3) 12_656 12_756 ?
Pb1 Pb1 Pb1 63.291(16) 11_566 12_756 ?
Pb1 Pb1 Pb1 122.695(8) 2_665 12_756 ?
O1 Pb1 Pb1 94.60(2) . 11_576 ?
OF1 Pb1 Pb1 33.617(13) 11_566 11_576 ?
OF1 Pb1 Pb1 94.37(2) 1_655 11_576 ?
F1 Pb1 Pb1 37.376(6) 1_665 11_576 ?
Cl1 Pb1 Pb1 174.16(4) . 11_576 ?
Cl1 Pb1 Pb1 111.18(6) 9_666 11_576 ?
Cl1 Pb1 Pb1 109.23(3) 9_766 11_576 ?
Cl1 Pb1 Pb1 71.15(3) 1_565 11_576 ?
Pb1 Pb1 Pb1 130.189(16) 10_556 11_576 ?
Pb1 Pb1 Pb1 63.291(16) 12_656 11_576 ?
Pb1 Pb1 Pb1 95.66(3) 11_566 11_576 ?
Pb1 Pb1 Pb1 122.695(9) 2_665 11_576 ?
Pb1 Pb1 Pb1 65.390(17) 12_756 11_576 ?
Pb1 Cl1 Pb1 68.70(6) . 10_556 ?
Pb1 Cl1 Pb1 71.06(6) . 2_665 ?
Pb1 Cl1 Pb1 108.19(11) 10_556 2_665 ?
Pb1 Cl1 Pb1 108.19(11) . 9_666 ?
Pb1 Cl1 Pb1 71.06(6) 10_556 9_666 ?
Pb1 Cl1 Pb1 68.70(6) 2_665 9_666 ?
Pb1 Cl1 Pb1 106.899(12) . 9_766 ?
Pb1 Cl1 Pb1 73.149(12) 10_556 9_766 ?
Pb1 Cl1 Pb1 176.59(4) 2_665 9_766 ?
Pb1 Cl1 Pb1 114.69(2) 9_666 9_766 ?
Pb1 Cl1 Pb1 73.149(13) . 2_765 ?
Pb1 Cl1 Pb1 106.899(12) 10_556 2_765 ?
Pb1 Cl1 Pb1 114.69(2) 2_665 2_765 ?
Pb1 Cl1 Pb1 176.59(4) 9_666 2_765 ?
Pb1 Cl1 Pb1 61.92(5) 9_766 2_765 ?
Pb1 Cl1 Pb1 114.69(2) . 1_545 ?
Pb1 Cl1 Pb1 176.59(4) 10_556 1_545 ?
Pb1 Cl1 Pb1 73.149(12) 2_665 1_545 ?
Pb1 Cl1 Pb1 106.899(11) 9_666 1_545 ?
Pb1 Cl1 Pb1 105.70(10) 9_766 1_545 ?
Pb1 Cl1 Pb1 75.00(6) 2_765 1_545 ?
Pb1 Cl1 Pb1 176.59(4) . 10_546 ?
Pb1 Cl1 Pb1 114.69(2) 10_556 10_546 ?
Pb1 Cl1 Pb1 106.899(11) 2_665 10_546 ?
Pb1 Cl1 Pb1 73.149(12) 9_666 10_546 ?
Pb1 Cl1 Pb1 75.00(6) 9_766 10_546 ?
Pb1 Cl1 Pb1 105.70(10) 2_765 10_546 ?
Pb1 Cl1 Pb1 61.92(5) 1_545 10_546 ?
Pb1 Cl1 O1 100.19(9) . 9_666 ?
Pb1 Cl1 O1 38.10(2) 10_556 9_666 ?
Pb1 Cl1 O1 100.19(9) 2_665 9_666 ?
Pb1 Cl1 O1 38.10(2) 9_666 9_666 ?
Pb1 Cl1 O1 82.801(17) 9_766 9_666 ?
Pb1 Cl1 O1 138.894(17) 2_765 9_666 ?
Pb1 Cl1 O1 138.894(17) 1_545 9_666 ?
Pb1 Cl1 O1 82.801(17) 10_546 9_666 ?
Pb1 Cl1 O1 38.10(2) . . ?
Pb1 Cl1 O1 100.19(9) 10_556 . ?
Pb1 Cl1 O1 38.10(2) 2_665 . ?
Pb1 Cl1 O1 100.19(9) 9_666 . ?
Pb1 Cl1 O1 138.894(17) 9_766 . ?
Pb1 Cl1 O1 82.801(17) 2_765 . ?
Pb1 Cl1 O1 82.801(17) 1_545 . ?
Pb1 Cl1 O1 138.894(17) 10_546 . ?
O1 Cl1 O1 117.32(10) 9_666 . ?
Pb1 Cl1 OF1 100.17(4) . 9_666 ?
Pb1 Cl1 OF1 39.667(9) 10_556 9_666 ?
Pb1 Cl1 OF1 143.95(11) 2_665 9_666 ?
Pb1 Cl1 OF1 82.08(3) 9_666 9_666 ?
Pb1 Cl1 OF1 38.519(13) 9_766 9_666 ?
Pb1 Cl1 OF1 94.62(5) 2_765 9_666 ?
Pb1 Cl1 OF1 137.94(10) 1_545 9_666 ?
Pb1 Cl1 OF1 83.08(4) 10_546 9_666 ?
O1 Cl1 OF1 45.646(17) 9_666 9_666 ?
O1 Cl1 OF1 137.18(7) . 9_666 ?
Pb1 Cl1 OF1 82.08(3) . 11_556 ?
Pb1 Cl1 OF1 143.95(11) 10_556 11_556 ?
Pb1 Cl1 OF1 39.667(9) 2_665 11_556 ?
Pb1 Cl1 OF1 100.17(4) 9_666 11_556 ?
Pb1 Cl1 OF1 137.94(10) 9_766 11_556 ?
Pb1 Cl1 OF1 83.08(4) 2_765 11_556 ?
Pb1 Cl1 OF1 38.519(13) 1_545 11_556 ?
Pb1 Cl1 OF1 94.62(5) 10_546 11_556 ?
O1 Cl1 OF1 137.18(7) 9_666 11_556 ?
O1 Cl1 OF1 45.646(17) . 11_556 ?
OF1 Cl1 OF1 176.21(12) 9_666 11_556 ?
Pb1 Cl1 OF1 39.667(9) . 1_655 ?
Pb1 Cl1 OF1 100.17(4) 10_556 1_655 ?
Pb1 Cl1 OF1 82.08(3) 2_665 1_655 ?
Pb1 Cl1 OF1 143.95(11) 9_666 1_655 ?
Pb1 Cl1 OF1 94.62(5) 9_766 1_655 ?
Pb1 Cl1 OF1 38.519(13) 2_765 1_655 ?
Pb1 Cl1 OF1 83.08(4) 1_545 1_655 ?
Pb1 Cl1 OF1 137.94(10) 10_546 1_655 ?
O1 Cl1 OF1 137.18(7) 9_666 1_655 ?
O1 Cl1 OF1 45.646(17) . 1_655 ?
OF1 Cl1 OF1 113.990(19) 9_666 1_655 ?
OF1 Cl1 OF1 65.873(19) 11_556 1_655 ?
Pb1 Cl1 OF1 143.95(11) . 3_655 ?
Pb1 Cl1 OF1 82.08(3) 10_556 3_655 ?
Pb1 Cl1 OF1 100.17(4) 2_665 3_655 ?
Pb1 Cl1 OF1 39.667(9) 9_666 3_655 ?
Pb1 Cl1 OF1 83.08(4) 9_766 3_655 ?
Pb1 Cl1 OF1 137.94(10) 2_765 3_655 ?
Pb1 Cl1 OF1 94.62(5) 1_545 3_655 ?
Pb1 Cl1 OF1 38.519(13) 10_546 3_655 ?
O1 Cl1 OF1 45.646(17) 9_666 3_655 ?
O1 Cl1 OF1 137.18(7) . 3_655 ?
OF1 Cl1 OF1 65.873(19) 9_666 3_655 ?
OF1 Cl1 OF1 113.990(19) 11_556 3_655 ?
OF1 Cl1 OF1 176.21(12) 1_655 3_655 ?
Pb1 F1 Pb1 118.30(3) 2_665 1_445 ?
Pb1 F1 Pb1 105.246(13) 2_665 12_646 ?
Pb1 F1 Pb1 105.246(13) 1_445 12_646 ?
Pb1 F1 Pb1 105.246(13) 2_665 11_466 ?
Pb1 F1 Pb1 105.246(13) 1_445 11_466 ?
Pb1 F1 Pb1 118.30(3) 12_646 11_466 ?
Pb1 F1 Cl1 155.37(5) 2_665 3_544 ?
Pb1 F1 Cl1 86.33(5) 1_445 3_544 ?
Pb1 F1 Cl1 65.01(2) 12_646 3_544 ?
Pb1 F1 Cl1 65.01(2) 11_466 3_544 ?
Pb1 F1 Cl1 65.01(2) 2_665 9_656 ?
Pb1 F1 Cl1 65.01(2) 1_445 9_656 ?
Pb1 F1 Cl1 86.33(5) 12_646 9_656 ?
Pb1 F1 Cl1 155.37(5) 11_466 9_656 ?
Cl1 F1 Cl1 132.76(6) 3_544 9_656 ?
Pb1 F1 Cl1 65.01(2) 2_665 1_455 ?
Pb1 F1 Cl1 65.01(2) 1_445 1_455 ?
Pb1 F1 Cl1 155.37(5) 12_646 1_455 ?
Pb1 F1 Cl1 86.33(5) 11_466 1_455 ?
Cl1 F1 Cl1 132.76(6) 3_544 1_455 ?
Cl1 F1 Cl1 69.04(10) 9_656 1_455 ?
Pb1 F1 Cl1 86.33(5) 2_665 11_566 ?
Pb1 F1 Cl1 155.37(5) 1_445 11_566 ?
Pb1 F1 Cl1 65.01(2) 12_646 11_566 ?
Pb1 F1 Cl1 65.01(2) 11_466 11_566 ?
Cl1 F1 Cl1 69.04(10) 3_544 11_566 ?
Cl1 F1 Cl1 132.76(6) 9_656 11_566 ?
Cl1 F1 Cl1 132.76(6) 1_455 11_566 ?
Pb1 F1 Pb1 152.908(8) 2_665 11_456 ?
Pb1 F1 Pb1 52.770(19) 1_445 11_456 ?
Pb1 F1 Pb1 60.624(6) 12_646 11_456 ?
Pb1 F1 Pb1 101.846(11) 11_466 11_456 ?
Cl1 F1 Pb1 43.73(4) 3_544 11_456 ?
Cl1 F1 Pb1 89.97(3) 9_656 11_456 ?
Cl1 F1 Pb1 117.310(11) 1_455 11_456 ?
Cl1 F1 Pb1 105.33(5) 11_566 11_456 ?
Pb1 F1 Pb1 152.908(8) 2_665 12_546 ?
Pb1 F1 Pb1 52.770(19) 1_445 12_546 ?
Pb1 F1 Pb1 101.846(11) 12_646 12_546 ?
Pb1 F1 Pb1 60.624(6) 11_466 12_546 ?
Cl1 F1 Pb1 43.73(4) 3_544 12_546 ?
Cl1 F1 Pb1 117.310(11) 9_656 12_546 ?
Cl1 F1 Pb1 89.97(3) 1_455 12_546 ?
Cl1 F1 Pb1 105.33(5) 11_566 12_546 ?
Pb1 F1 Pb1 47.813(13) 11_456 12_546 ?
Pb1 F1 Pb1 52.770(19) 2_665 11_566 ?
Pb1 F1 Pb1 152.908(8) 1_445 11_566 ?
Pb1 F1 Pb1 60.624(7) 12_646 11_566 ?
Pb1 F1 Pb1 101.846(11) 11_466 11_566 ?
Cl1 F1 Pb1 105.33(5) 3_544 11_566 ?
Cl1 F1 Pb1 89.97(3) 9_656 11_566 ?
Cl1 F1 Pb1 117.310(11) 1_455 11_566 ?
Cl1 F1 Pb1 43.73(4) 11_566 11_566 ?
Pb1 F1 Pb1 121.120(12) 11_456 11_566 ?
Pb1 F1 Pb1 147.702(16) 12_546 11_566 ?
Pb1 F1 Pb1 52.770(19) 2_665 12_656 ?
Pb1 F1 Pb1 152.908(8) 1_445 12_656 ?
Pb1 F1 Pb1 101.846(11) 12_646 12_656 ?
Pb1 F1 Pb1 60.624(7) 11_466 12_656 ?
Cl1 F1 Pb1 105.33(5) 3_544 12_656 ?
Cl1 F1 Pb1 117.310(11) 9_656 12_656 ?
Cl1 F1 Pb1 89.97(3) 1_455 12_656 ?
Cl1 F1 Pb1 43.73(4) 11_566 12_656 ?
Pb1 F1 Pb1 147.702(16) 11_456 12_656 ?
Pb1 F1 Pb1 121.120(12) 12_546 12_656 ?
Pb1 F1 Pb1 47.813(12) 11_566 12_656 ?
Pb1 OF1 Pb1 112.76(3) 11_466 2_665 ?
Pb1 OF1 Pb1 114.99(3) 11_466 12_656 ?
Pb1 OF1 Pb1 100.99(3) 2_665 12_656 ?
Pb1 OF1 Pb1 100.99(3) 11_466 1_455 ?
Pb1 OF1 Pb1 114.99(3) 2_665 1_455 ?
Pb1 OF1 Pb1 112.76(3) 12_656 1_455 ?
Pb1 OF1 Cl1 155.509(10) 11_466 9_666 ?
Pb1 OF1 Cl1 59.32(6) 2_665 9_666 ?
Pb1 OF1 Cl1 89.50(2) 12_656 9_666 ?
Pb1 OF1 Cl1 66.97(6) 1_455 9_666 ?
Pb1 OF1 Cl1 66.97(6) 11_466 11_566 ?
Pb1 OF1 Cl1 89.50(2) 2_665 11_566 ?
Pb1 OF1 Cl1 59.32(6) 12_656 11_566 ?
Pb1 OF1 Cl1 155.509(10) 1_455 11_566 ?
Cl1 OF1 Cl1 131.86(9) 9_666 11_566 ?
Pb1 OF1 Cl1 59.32(6) 11_466 3_554 ?
Pb1 OF1 Cl1 155.509(10) 2_665 3_554 ?
Pb1 OF1 Cl1 66.97(6) 12_656 3_554 ?
Pb1 OF1 Cl1 89.50(2) 1_455 3_554 ?
Cl1 OF1 Cl1 137.67(9) 9_666 3_554 ?
Cl1 OF1 Cl1 66.010(19) 11_566 3_554 ?
Pb1 OF1 Cl1 89.50(2) 11_466 1_455 ?
Pb1 OF1 Cl1 66.97(6) 2_665 1_455 ?
Pb1 OF1 Cl1 155.509(10) 12_656 1_455 ?
Pb1 OF1 Cl1 59.32(6) 1_455 1_455 ?
Cl1 OF1 Cl1 66.010(19) 9_666 1_455 ?
Cl1 OF1 Cl1 137.67(9) 11_566 1_455 ?
Cl1 OF1 Cl1 131.86(9) 3_554 1_455 ?
Pb1 OF1 Pb1 153.377(10) 11_466 . ?
Pb1 OF1 Pb1 55.080(17) 2_665 . ?
Pb1 OF1 Pb1 53.770(19) 12_656 . ?
Pb1 OF1 Pb1 105.633(17) 1_455 . ?
Cl1 OF1 Pb1 44.42(4) 9_666 . ?
Cl1 OF1 Pb1 88.18(5) 11_566 . ?
Cl1 OF1 Pb1 120.30(6) 3_554 . ?
Cl1 OF1 Pb1 103.97(3) 1_455 . ?
Pb1 OF1 Pb1 55.081(17) 11_466 12_556 ?
Pb1 OF1 Pb1 153.377(10) 2_665 12_556 ?
Pb1 OF1 Pb1 105.633(17) 12_656 12_556 ?
Pb1 OF1 Pb1 53.769(19) 1_455 12_556 ?
Cl1 OF1 Pb1 120.30(6) 9_666 12_556 ?
Cl1 OF1 Pb1 103.97(3) 11_566 12_556 ?
Cl1 OF1 Pb1 44.42(4) 3_554 12_556 ?
Cl1 OF1 Pb1 88.18(5) 1_455 12_556 ?
Pb1 OF1 Pb1 146.237(7) . 12_556 ?
Pb1 OF1 Pb1 53.769(19) 11_466 2_565 ?
Pb1 OF1 Pb1 105.633(17) 2_665 2_565 ?
Pb1 OF1 Pb1 153.377(10) 12_656 2_565 ?
Pb1 OF1 Pb1 55.081(17) 1_455 2_565 ?
Cl1 OF1 Pb1 103.97(3) 9_666 2_565 ?
Cl1 OF1 Pb1 120.30(6) 11_566 2_565 ?
Cl1 OF1 Pb1 88.18(5) 3_554 2_565 ?
Cl1 OF1 Pb1 44.42(4) 1_455 2_565 ?
Pb1 OF1 Pb1 147.257(16) . 2_565 ?
Pb1 OF1 Pb1 47.744(10) 12_556 2_565 ?
Pb1 OF1 Pb1 105.633(17) 11_466 11_566 ?
Pb1 OF1 Pb1 53.769(19) 2_665 11_566 ?
Pb1 OF1 Pb1 55.081(17) 12_656 11_566 ?
Pb1 OF1 Pb1 153.377(10) 1_455 11_566 ?
Cl1 OF1 Pb1 88.18(5) 9_666 11_566 ?
Cl1 OF1 Pb1 44.42(4) 11_566 11_566 ?
Cl1 OF1 Pb1 103.97(3) 3_554 11_566 ?
Cl1 OF1 Pb1 120.30(6) 1_455 11_566 ?
Pb1 OF1 Pb1 47.744(10) . 11_566 ?
Pb1 OF1 Pb1 147.257(17) 12_556 11_566 ?
Pb1 OF1 Pb1 146.237(7) 2_565 11_566 ?
Pb1 O1 Pb1 108.676(16) 2_665 12_656 ?
Pb1 O1 Pb1 108.676(16) 2_665 11_566 ?
Pb1 O1 Pb1 111.07(3) 12_656 11_566 ?
Pb1 O1 Pb1 111.07(3) 2_665 . ?
Pb1 O1 Pb1 108.677(16) 12_656 . ?
Pb1 O1 Pb1 108.677(16) 11_566 . ?
Pb1 O1 Cl1 61.10(2) 2_665 . ?
Pb1 O1 Cl1 155.80(5) 12_656 . ?
Pb1 O1 Cl1 93.12(6) 11_566 . ?
Pb1 O1 Cl1 61.10(2) . . ?
Pb1 O1 Cl1 93.12(6) 2_665 11_566 ?
Pb1 O1 Cl1 61.10(2) 12_656 11_566 ?
Pb1 O1 Cl1 61.10(2) 11_566 11_566 ?
Pb1 O1 Cl1 155.80(5) . 11_566 ?
Cl1 O1 Cl1 136.85(7) . 11_566 ?
Pb1 O1 Cl1 61.10(2) 2_665 9_666 ?
Pb1 O1 Cl1 93.12(6) 12_656 9_666 ?
Pb1 O1 Cl1 155.80(5) 11_566 9_666 ?
Pb1 O1 Cl1 61.10(2) . 9_666 ?
Cl1 O1 Cl1 62.68(10) . 9_666 ?
Cl1 O1 Cl1 136.85(7) 11_566 9_666 ?
Pb1 O1 Cl1 155.80(5) 2_665 3_654 ?
Pb1 O1 Cl1 61.10(2) 12_656 3_654 ?
Pb1 O1 Cl1 61.10(2) 11_566 3_654 ?
Pb1 O1 Cl1 93.13(6) . 3_654 ?
Cl1 O1 Cl1 136.85(7) . 3_654 ?
Cl1 O1 Cl1 62.68(10) 11_566 3_654 ?
Cl1 O1 Cl1 136.85(7) 9_666 3_654 ?
Pb1 O1 Pb1 56.88(2) 2_665 11_466 ?
Pb1 O1 Pb1 58.157(6) 12_656 11_466 ?
Pb1 O1 Pb1 102.755(12) 11_566 11_466 ?
Pb1 O1 Pb1 148.568(9) . 11_466 ?
Cl1 O1 Pb1 117.878(15) . 11_466 ?
Cl1 O1 Pb1 47.70(4) 11_566 11_466 ?
Cl1 O1 Pb1 89.74(3) 9_666 11_466 ?
Cl1 O1 Pb1 102.12(5) 3_654 11_466 ?
Pb1 O1 Pb1 56.88(2) 2_665 12_646 ?
Pb1 O1 Pb1 102.755(12) 12_656 12_646 ?
Pb1 O1 Pb1 58.157(6) 11_566 12_646 ?
Pb1 O1 Pb1 148.568(9) . 12_646 ?
Cl1 O1 Pb1 89.74(3) . 12_646 ?
Cl1 O1 Pb1 47.70(4) 11_566 12_646 ?
Cl1 O1 Pb1 117.878(15) 9_666 12_646 ?
Cl1 O1 Pb1 102.12(5) 3_654 12_646 ?
Pb1 O1 Pb1 53.982(12) 11_466 12_646 ?
Pb1 O1 Pb1 102.755(11) 2_665 2_765 ?
Pb1 O1 Pb1 148.569(9) 12_656 2_765 ?
Pb1 O1 Pb1 56.88(2) 11_566 2_765 ?
Pb1 O1 Pb1 58.157(6) . 2_765 ?
Cl1 O1 Pb1 47.70(4) . 2_765 ?
Cl1 O1 Pb1 117.878(15) 11_566 2_765 ?
Cl1 O1 Pb1 102.12(5) 9_666 2_765 ?
Cl1 O1 Pb1 89.74(3) 3_654 2_765 ?
Pb1 O1 Pb1 147.563(11) 11_466 2_765 ?
Pb1 O1 Pb1 94.215(4) 12_646 2_765 ?
Pb1 O1 Pb1 148.569(9) 2_665 11_576 ?
Pb1 O1 Pb1 58.157(5) 12_656 11_576 ?
Pb1 O1 Pb1 102.755(12) 11_566 11_576 ?
Pb1 O1 Pb1 56.88(2) . 11_576 ?
Cl1 O1 Pb1 117.878(15) . 11_576 ?
Cl1 O1 Pb1 102.12(5) 11_566 11_576 ?
Cl1 O1 Pb1 89.74(3) 9_666 11_576 ?
Cl1 O1 Pb1 47.70(4) 3_654 11_576 ?
Pb1 O1 Pb1 116.171(12) 11_466 11_576 ?
Pb1 O1 Pb1 148.541(15) 12_646 11_576 ?
Pb1 O1 Pb1 94.215(4) 2_765 11_576 ?
 
_refine_diff_density_max    2.479
_refine_diff_density_min   -1.816
_refine_diff_density_rms    0.353



