#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:50:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179542 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/11/4501148.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4501148
loop_
_publ_author_name
'Chen, Sheng-Chun'
'Zhang, Zhi-Hui'
'Zhou, Yong-Sheng'
'Zhou, Wei-You'
'Li, Yi-Zhi'
'He, Ming-Yang'
'Chen, Qun'
'Du, Miao'
_publ_section_title
;
 Alkali-Metal-Templated Assemblies of New 3D Lead(II)
 Tetrachloroterephthalate Coordination Frameworks
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4190
_journal_paper_doi               10.1021/cg200785g
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C25 H21 Cl8 N3 O11 Pb2'
_chemical_formula_weight         1237.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.9980(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4348(7)
_cell_length_b                   19.3313(12)
_cell_length_c                   18.8959(14)
_cell_measurement_temperature    296(2)
_cell_volume                     3664.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            77552
_diffrn_reflns_theta_full        32.91
_diffrn_reflns_theta_max         32.91
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    9.819
_exptl_absorpt_correction_T_max  0.2016
_exptl_absorpt_correction_T_min  0.1845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2320
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.24
_refine_diff_density_max         2.177
_refine_diff_density_min         -1.799
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         13293
_refine_ls_number_restraints     131
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0292P)²+6.0584P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0804
_reflns_number_gt                9404
_reflns_number_total             13293
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg200785g_si_001.cif
_cod_data_source_block           xyh
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4501148
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.409590(15) 0.235754(8) 0.250176(9) 0.03442(5) Uani 1 1 d . . .
Pb2 Pb 0.120580(15) 0.244574(7) 0.063777(8) 0.02978(4) Uani 1 1 d . . .
Cl1 Cl 0.18333(18) 0.11751(7) 0.42109(9) 0.0720(4) Uani 1 1 d . B .
Cl2 Cl -0.05150(19) 0.13545(9) 0.49375(10) 0.0833(5) Uani 1 1 d . . .
Cl3 Cl 0.04803(16) 0.40764(7) 0.52139(10) 0.0707(4) Uani 1 1 d . . .
Cl4 Cl 0.27686(14) 0.38928(7) 0.44643(9) 0.0618(4) Uani 1 1 d . B .
Cl5 Cl -0.03374(13) 0.07581(6) 0.23654(8) 0.0548(3) Uani 1 1 d . B .
Cl6 Cl 0.04686(14) -0.05068(6) 0.34493(8) 0.0553(3) Uani 1 1 d . . .
Cl7 Cl 0.47947(14) -0.09185(7) 0.25047(9) 0.0658(4) Uani 1 1 d . . .
Cl8 Cl 0.40739(13) 0.03965(6) 0.14965(8) 0.0551(3) Uani 1 1 d . B .
O1 O 0.2698(4) 0.2498(2) 0.32547(19) 0.0578(10) Uani 1 1 d . B .
O2 O 0.4368(3) 0.2414(2) 0.4255(2) 0.0561(10) Uani 1 1 d . B .
O3 O -0.1063(4) 0.2655(2) 0.5950(2) 0.0712(12) Uani 1 1 d . . .
O4 O -0.2182(4) 0.2995(3) 0.4847(3) 0.106(2) Uani 1 1 d . . .
O5 O 0.2041(3) 0.16987(13) 0.17619(16) 0.0360(6) Uani 1 1 d . B .
O6 O 0.0851(4) 0.10597(18) 0.08576(19) 0.0557(9) Uani 1 1 d . B .
O7 O 0.2638(3) -0.18418(14) 0.32221(17) 0.0395(7) Uani 1 1 d . . .
O8 O 0.3673(5) -0.11168(19) 0.4086(2) 0.0702(12) Uani 1 1 d . . .
O9 O 0.5565(4) 0.3349(2) 0.3002(2) 0.0622(10) Uani 1 1 d . B .
O10 O -0.0692(4) 0.2544(2) 0.1214(2) 0.0607(10) Uani 1 1 d . A .
N1 N 0.6465(4) 0.4228(2) 0.3753(2) 0.0453(9) Uani 1 1 d . B .
N2 N -0.1502(4) 0.2535(2) 0.2200(2) 0.0523(11) Uani 1 1 d D . .
C1 C 0.3203(4) 0.2474(2) 0.3940(3) 0.0373(9) Uani 1 1 d . . .
C2 C 0.2173(4) 0.2546(2) 0.4373(2) 0.0314(8) Uani 1 1 d . B .
C3 C 0.1443(5) 0.1978(2) 0.4492(2) 0.0388(9) Uani 1 1 d . . .
C4 C 0.0405(5) 0.2059(2) 0.4811(2) 0.0436(10) Uani 1 1 d . B .
C5 C 0.0069(4) 0.2706(2) 0.5019(2) 0.0400(10) Uani 1 1 d . . .
C6 C 0.0826(4) 0.3264(2) 0.4924(2) 0.0392(10) Uani 1 1 d . B .
C7 C 0.1859(4) 0.3185(2) 0.4603(2) 0.0344(9) Uani 1 1 d . . .
C8 C -0.1150(5) 0.2796(3) 0.5311(3) 0.0580(14) Uani 1 1 d . B .
C9 C 0.1565(4) 0.11278(19) 0.1482(2) 0.0338(9) Uani 1 1 d . . .
C10 C 0.1912(4) 0.05009(18) 0.1989(2) 0.0322(8) Uani 1 1 d . B .
C11 C 0.1096(4) 0.0295(2) 0.2418(2) 0.0360(9) Uani 1 1 d . . .
C12 C 0.1444(4) -0.02610(19) 0.2891(2) 0.0370(9) Uani 1 1 d . B .
C13 C 0.2591(4) -0.06423(18) 0.2923(2) 0.0357(9) Uani 1 1 d . . .
C14 C 0.3382(4) -0.0444(2) 0.2484(3) 0.0392(10) Uani 1 1 d . B .
C15 C 0.3058(4) 0.0128(2) 0.2022(3) 0.0375(9) Uani 1 1 d . . .
C16 C 0.3000(5) -0.1241(2) 0.3463(3) 0.0389(10) Uani 1 1 d . B .
C17 C 0.5587(5) 0.3743(3) 0.3528(3) 0.0513(12) Uani 1 1 d . . .
H17 H 0.4934 0.3687 0.3773 0.062 Uiso 1 1 calc R B .
C18 C 0.7560(6) 0.4316(3) 0.3420(4) 0.0679(17) Uani 1 1 d . . .
H18A H 0.8335 0.4079 0.3711 0.102 Uiso 1 1 calc R B .
H18B H 0.7757 0.4800 0.3400 0.102 Uiso 1 1 calc R . .
H18C H 0.7310 0.4129 0.2931 0.102 Uiso 1 1 calc R . .
C19 C 0.6500(7) 0.4644(3) 0.4398(3) 0.0710(17) Uani 1 1 d . . .
H19A H 0.5718 0.4553 0.4557 0.106 Uiso 1 1 calc R B .
H19B H 0.6527 0.5125 0.4278 0.106 Uiso 1 1 calc R . .
H19C H 0.7280 0.4528 0.4787 0.106 Uiso 1 1 calc R . .
C20 C -0.0552(5) 0.2490(2) 0.1879(3) 0.0436(11) Uani 1 1 d . A .
H20 H 0.0306 0.2411 0.2178 0.052 Uiso 1 1 calc R . .
C21A C -0.2764(11) 0.2842(10) 0.1765(8) 0.073(3) Uani 0.504(18) 1 d PDU A 1
H21A H -0.2579 0.3250 0.1520 0.109 Uiso 0.504(18) 1 calc PR A 1
H21B H -0.3301 0.2963 0.2085 0.109 Uiso 0.504(18) 1 calc PR A 1
H21C H -0.3234 0.2514 0.1405 0.109 Uiso 0.504(18) 1 calc PR A 1
C21B C -0.2882(9) 0.2423(12) 0.1788(8) 0.073(3) Uani 0.496(18) 1 d PDU A 2
H21D H -0.3010 0.1945 0.1647 0.109 Uiso 0.496(18) 1 calc PR A 2
H21E H -0.3093 0.2708 0.1355 0.109 Uiso 0.496(18) 1 calc PR A 2
H21F H -0.3455 0.2542 0.2089 0.109 Uiso 0.496(18) 1 calc PR A 2
C22 C -0.1282(7) 0.2444(3) 0.2985(3) 0.0637(15) Uani 1 1 d . A .
H22A H -0.0342 0.2415 0.3220 0.096 Uiso 1 1 calc R . .
H22B H -0.1708 0.2026 0.3075 0.096 Uiso 1 1 calc R . .
H22C H -0.1650 0.2831 0.3181 0.096 Uiso 1 1 calc R . .
N3 N 0.6317(5) 0.0489(3) 0.3850(3) 0.0712(13) Uani 1 1 d DU . .
O11A O 0.5739(10) 0.1402(4) 0.3068(5) 0.102(2) Uani 0.682(6) 1 d PDU B 1
C23A C 0.5500(12) 0.0971(6) 0.3692(6) 0.094(2) Uani 0.682(6) 1 d PDU B 1
H23 H 0.4835 0.1055 0.3923 0.113 Uiso 0.682(6) 1 calc PR B 1
C24A C 0.7206(10) 0.0385(5) 0.3387(4) 0.099(3) Uani 0.682(6) 1 d PDU B 1
H24A H 0.6948 0.0686 0.2967 0.148 Uiso 0.682(6) 1 calc PR B 1
H24B H 0.7152 -0.0087 0.3224 0.148 Uiso 0.682(6) 1 calc PR B 1
H24C H 0.8105 0.0488 0.3663 0.148 Uiso 0.682(6) 1 calc PR B 1
C25A C 0.6685(10) 0.0031(5) 0.4480(5) 0.099(3) Uani 0.682(6) 1 d PRDU B 1
H25A H 0.6217 0.0163 0.4830 0.149 Uiso 0.682(6) 1 calc PR B 1
H25B H 0.7628 0.0061 0.4704 0.149 Uiso 0.682(6) 1 calc PR B 1
H25C H 0.6454 -0.0436 0.4322 0.149 Uiso 0.682(6) 1 calc PR B 1
O11B O 0.5007(19) 0.1207(10) 0.3166(11) 0.102(2) Uani 0.318(6) 1 d PDU B 2
C23B C 0.638(2) 0.0860(11) 0.3322(10) 0.094(2) Uani 0.318(6) 1 d PDU B 2
H23A H 0.7053 0.0911 0.3092 0.113 Uiso 0.318(6) 1 calc PR B 2
C24B C 0.5125(17) 0.0622(14) 0.4093(14) 0.099(3) Uani 0.318(6) 1 d PDU B 2
H24D H 0.5167 0.1082 0.4291 0.148 Uiso 0.318(6) 1 calc PR B 2
H24E H 0.5077 0.0293 0.4465 0.148 Uiso 0.318(6) 1 calc PR B 2
H24F H 0.4347 0.0580 0.3681 0.148 Uiso 0.318(6) 1 calc PR B 2
C25B C 0.718(2) -0.0116(9) 0.4009(14) 0.099(3) Uani 0.318(6) 1 d PDU B 2
H25D H 0.7991 -0.0021 0.3880 0.149 Uiso 0.318(6) 1 calc PR B 2
H25E H 0.6735 -0.0502 0.3728 0.149 Uiso 0.318(6) 1 calc PR B 2
H25F H 0.7384 -0.0222 0.4525 0.149 Uiso 0.318(6) 1 calc PR B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Pb1 O9 95.92(13) . .
O1 Pb1 O7 77.23(12) . 2
O9 Pb1 O7 90.48(12) . 2
O1 Pb1 O11A 107.0(2) . .
O9 Pb1 O11A 97.3(3) . .
O7 Pb1 O11A 170.7(2) 2 .
O1 Pb1 O5 79.57(12) . .
O9 Pb1 O5 159.08(12) . .
O7 Pb1 O5 68.60(9) 2 .
O11A Pb1 O5 103.6(2) . .
O1 Pb1 O11B 90.7(5) . .
O9 Pb1 O11B 111.9(5) . .
O7 Pb1 O11B 155.8(5) 2 .
O11A Pb1 O11B 20.4(4) . .
O5 Pb1 O11B 88.7(5) . .
O10 Pb2 O5 78.97(12) . .
O10 Pb2 O7 80.78(12) . 2
O5 Pb2 O7 68.00(9) . 2
O10 Pb2 O4 162.86(15) . 4_665
O5 Pb2 O4 99.43(16) . 4_665
O7 Pb2 O4 114.69(12) 2 4_665
O10 Pb2 O6 81.57(12) . .
O5 Pb2 O6 48.99(9) . .
O7 Pb2 O6 116.64(9) 2 .
O4 Pb2 O6 84.60(17) 4_665 .
O10 Pb2 O3 143.51(13) . 4_665
O5 Pb2 O3 71.41(11) . 4_665
O7 Pb2 O3 68.79(11) 2 4_665
O4 Pb2 O3 47.54(13) 4_665 4_665
O6 Pb2 O3 94.18(12) . 4_665
C1 O1 Pb1 118.2(3) . .
C8 O3 Pb2 90.8(3) . 4_566
C8 O4 Pb2 93.6(3) . 4_566
C9 O5 Pb2 98.2(3) . .
C9 O5 Pb1 146.9(3) . .
Pb2 O5 Pb1 102.65(9) . .
C9 O6 Pb2 88.2(2) . .
C16 O7 Pb1 150.3(3) . 2_545
C16 O7 Pb2 99.5(3) . 2_545
Pb1 O7 Pb2 103.34(9) 2_545 2_545
C17 O9 Pb1 130.7(3) . .
C20 O10 Pb2 123.4(3) . .
C17 N1 C19 121.8(5) . .
C17 N1 C18 120.7(4) . .
C19 N1 C18 117.1(4) . .
C20 N2 C22 123.0(5) . .
C20 N2 C21A 116.4(7) . .
C22 N2 C21A 119.1(7) . .
C20 N2 C21B 120.7(8) . .
C22 N2 C21B 112.7(8) . .
C21A N2 C21B 32.6(8) . .
O2 C1 O1 126.4(4) . .
O2 C1 C2 120.5(4) . .
O1 C1 C2 113.1(4) . .
C7 C2 C3 117.9(4) . .
C7 C2 C1 121.0(4) . .
C3 C2 C1 120.9(4) . .
C4 C3 C2 120.7(4) . .
C4 C3 Cl1 121.0(3) . .
C2 C3 Cl1 118.3(3) . .
C3 C4 C5 121.0(4) . .
C3 C4 Cl2 120.2(4) . .
C5 C4 Cl2 118.7(4) . .
C6 C5 C4 118.1(4) . .
C6 C5 C8 121.4(4) . .
C4 C5 C8 120.4(4) . .
C5 C6 C7 120.9(4) . .
C5 C6 Cl3 119.5(3) . .
C7 C6 Cl3 119.6(3) . .
C2 C7 C6 121.3(4) . .
C2 C7 Cl4 118.3(3) . .
C6 C7 Cl4 120.4(3) . .
O3 C8 O4 125.5(5) . .
O3 C8 C5 119.4(5) . .
O4 C8 C5 115.0(5) . .
O6 C9 O5 124.4(4) . .
O6 C9 C10 119.9(4) . .
O5 C9 C10 115.7(4) . .
C15 C10 C11 119.2(4) . .
C15 C10 C9 119.7(4) . .
C11 C10 C9 121.1(4) . .
C12 C11 C10 120.5(4) . .
C12 C11 Cl5 120.7(3) . .
C10 C11 Cl5 118.8(3) . .
C11 C12 C13 120.6(4) . .
C11 C12 Cl6 121.2(3) . .
C13 C12 Cl6 118.2(3) . .
C14 C13 C12 118.5(4) . .
C14 C13 C16 120.7(4) . .
C12 C13 C16 120.7(4) . .
C13 C14 C15 121.1(4) . .
C13 C14 Cl7 119.2(3) . .
C15 C14 Cl7 119.7(3) . .
C10 C15 C14 120.0(4) . .
C10 C15 Cl8 118.6(3) . .
C14 C15 Cl8 121.3(3) . .
O8 C16 O7 124.3(4) . .
O8 C16 C13 118.6(4) . .
O7 C16 C13 117.0(4) . .
O9 C17 N1 124.0(5) . .
O9 C17 H17 118.0 . .
N1 C17 H17 118.0 . .
N1 C18 H18A 109.5 . .
N1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N1 C19 H19A 109.5 . .
N1 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N1 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O10 C20 N2 125.5(5) . .
O10 C20 H20 117.2 . .
N2 C20 H20 117.2 . .
N2 C21A H21A 109.5 . .
N2 C21A H21B 109.5 . .
N2 C21A H21C 109.5 . .
N2 C21B H21D 109.5 . .
N2 C21B H21E 109.5 . .
H21D C21B H21E 109.5 . .
N2 C21B H21F 109.5 . .
H21D C21B H21F 109.5 . .
H21E C21B H21F 109.5 . .
N2 C22 H22A 109.5 . .
N2 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
N2 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C23A N3 C23B 63.8(12) . .
C23A N3 C25A 131.6(7) . .
C23B N3 C25A 162.0(11) . .
C23A N3 C25B 175.1(13) . .
C23B N3 C25B 117.6(14) . .
C25A N3 C25B 47.9(10) . .
C23A N3 C24A 118.0(7) . .
C23B N3 C24A 54.2(9) . .
C25A N3 C24A 110.0(5) . .
C25B N3 C24A 63.4(11) . .
C23A N3 C24B 49.9(11) . .
C23B N3 C24B 112.7(15) . .
C25A N3 C24B 84.6(11) . .
C25B N3 C24B 127.4(16) . .
C24A N3 C24B 162.2(12) . .
C23A O11A Pb1 119.2(6) . .
N3 C23A O11A 110.4(9) . .
N3 C23A H23 124.8 . .
O11A C23A H23 124.8 . .
N3 C24A H24A 109.5 . .
N3 C24A H24B 109.5 . .
N3 C24A H24C 109.5 . .
N3 C25A H25A 109.5 . .
N3 C25A H25B 109.5 . .
N3 C25A H25C 109.5 . .
C23B O11B Pb1 131.7(13) . .
N3 C23B O11B 99.0(13) . .
N3 C23B H23A 130.5 . .
O11B C23B H23A 130.5 . .
N3 C24B H24D 109.5 . .
N3 C24B H24E 109.5 . .
H24D C24B H24E 109.5 . .
N3 C24B H24F 109.5 . .
H24D C24B H24F 109.5 . .
H24E C24B H24F 109.5 . .
N3 C25B H25D 109.5 . .
N3 C25B H25E 109.5 . .
H25D C25B H25E 109.5 . .
N3 C25B H25F 109.5 . .
H25D C25B H25F 109.5 . .
H25E C25B H25F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O1 2.317(4) .
Pb1 O9 2.473(3) .
Pb1 O7 2.485(3) 2
Pb1 O11A 2.547(7) .
Pb1 O5 2.554(3) .
Pb1 O11B 2.601(17) .
Pb2 O10 2.517(4) .
Pb2 O5 2.517(3) .
Pb2 O7 2.561(3) 2
Pb2 O4 2.679(4) 4_665
Pb2 O6 2.752(3) .
Pb2 O3 2.754(4) 4_665
Cl1 C3 1.725(5) .
Cl2 C4 1.721(4) .
Cl3 C6 1.733(4) .
Cl4 C7 1.726(4) .
Cl5 C11 1.722(4) .
Cl6 C12 1.723(4) .
Cl7 C14 1.727(4) .
Cl8 C15 1.721(4) .
O1 C1 1.257(6) .
O2 C1 1.203(6) .
O3 C8 1.216(7) .
O3 Pb2 2.754(4) 4_566
O4 C8 1.248(7) .
O4 Pb2 2.679(4) 4_566
O5 C9 1.265(5) .
O6 C9 1.217(5) .
O7 C16 1.267(5) .
O7 Pb1 2.485(3) 2_545
O7 Pb2 2.561(3) 2_545
O8 C16 1.216(6) .
O9 C17 1.247(6) .
O10 C20 1.228(6) .
N1 C17 1.297(6) .
N1 C19 1.452(7) .
N1 C18 1.458(6) .
N2 C20 1.300(6) .
N2 C22 1.447(7) .
N2 C21A 1.472(8) .
N2 C21B 1.453(8) .
C1 C2 1.525(6) .
C2 C7 1.379(5) .
C2 C3 1.391(6) .
C3 C4 1.385(6) .
C4 C5 1.384(7) .
C5 C6 1.378(6) .
C5 C8 1.530(6) .
C6 C7 1.384(5) .
C9 C10 1.525(5) .
C10 C15 1.382(6) .
C10 C11 1.385(5) .
C11 C12 1.382(6) .
C12 C13 1.393(6) .
C13 C14 1.376(6) .
C13 C16 1.524(6) .
C14 C15 1.391(6) .
C17 H17 0.9300 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20 0.9300 .
C21A H21A 0.9600 .
C21A H21B 0.9600 .
C21A H21C 0.9600 .
C21B H21D 0.9600 .
C21B H21E 0.9600 .
C21B H21F 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
N3 C23A 1.242(10) .
N3 C23B 1.243(13) .
N3 C25A 1.448(6) .
N3 C25B 1.455(9) .
N3 C24A 1.454(7) .
N3 C24B 1.463(9) .
O11A C23A 1.519(12) .
C23A H23 0.9300 .
C24A H24A 0.9600 .
C24A H24B 0.9600 .
C24A H24C 0.9600 .
C25A H25A 0.9600 .
C25A H25B 0.9600 .
C25A H25C 0.9600 .
O11B C23B 1.533(14) .
C23B H23A 0.9300 .
C24B H24D 0.9600 .
C24B H24E 0.9600 .
C24B H24F 0.9600 .
C25B H25D 0.9600 .
C25B H25E 0.9600 .
C25B H25F 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
O9 Pb1 O1 C1 -58.8(4) .
O7 Pb1 O1 C1 -147.9(4) 2
O11A Pb1 O1 C1 40.7(4) .
O5 Pb1 O1 C1 141.8(4) .
O11B Pb1 O1 C1 53.3(6) .
O10 Pb2 O5 C9 90.5(3) .
O7 Pb2 O5 C9 174.9(3) 2
O4 Pb2 O5 C9 -72.2(3) 4_665
O6 Pb2 O5 C9 2.1(2) .
O3 Pb2 O5 C9 -111.1(3) 4_665
O10 Pb2 O5 Pb1 -115.31(13) .
O7 Pb2 O5 Pb1 -30.90(10) 2
O4 Pb2 O5 Pb1 82.03(14) 4_665
O6 Pb2 O5 Pb1 156.33(17) .
O3 Pb2 O5 Pb1 43.09(12) 4_665
O1 Pb1 O5 C9 -120.1(5) .
O9 Pb1 O5 C9 160.8(5) .
O7 Pb1 O5 C9 159.7(5) 2
O11A Pb1 O5 C9 -15.0(5) .
O11B Pb1 O5 C9 -29.1(7) .
O1 Pb1 O5 Pb2 112.06(13) .
O9 Pb1 O5 Pb2 32.9(3) .
O7 Pb1 O5 Pb2 31.81(10) 2
O11A Pb1 O5 Pb2 -142.8(2) .
O11B Pb1 O5 Pb2 -157.0(5) .
O10 Pb2 O6 C9 -84.9(3) .
O5 Pb2 O6 C9 -2.2(2) .
O7 Pb2 O6 C9 -9.7(3) 2
O4 Pb2 O6 C9 105.3(3) 4_665
O3 Pb2 O6 C9 58.6(3) 4_665
O1 Pb1 O9 C17 5.4(5) .
O7 Pb1 O9 C17 82.6(5) 2
O11A Pb1 O9 C17 -102.6(5) .
O5 Pb1 O9 C17 81.6(6) .
O11B Pb1 O9 C17 -87.7(7) .
O5 Pb2 O10 C20 28.2(4) .
O7 Pb2 O10 C20 -41.0(4) 2
O4 Pb2 O10 C20 114.4(6) 4_665
O6 Pb2 O10 C20 77.9(4) .
O3 Pb2 O10 C20 -7.7(5) 4_665
Pb1 O1 C1 O2 3.3(7) .
Pb1 O1 C1 C2 -177.8(3) .
O2 C1 C2 C7 87.3(6) .
O1 C1 C2 C7 -91.7(5) .
O2 C1 C2 C3 -98.2(5) .
O1 C1 C2 C3 82.9(5) .
C7 C2 C3 C4 2.1(7) .
C1 C2 C3 C4 -172.6(4) .
C7 C2 C3 Cl1 -179.6(3) .
C1 C2 C3 Cl1 5.7(6) .
C2 C3 C4 C5 -0.1(7) .
Cl1 C3 C4 C5 -178.3(4) .
C2 C3 C4 Cl2 178.5(3) .
Cl1 C3 C4 Cl2 0.4(6) .
C3 C4 C5 C6 -2.3(7) .
Cl2 C4 C5 C6 179.1(4) .
C3 C4 C5 C8 175.0(5) .
Cl2 C4 C5 C8 -3.7(6) .
C4 C5 C6 C7 2.6(7) .
C8 C5 C6 C7 -174.6(5) .
C4 C5 C6 Cl3 -177.3(3) .
C8 C5 C6 Cl3 5.5(7) .
C3 C2 C7 C6 -1.8(7) .
C1 C2 C7 C6 172.8(4) .
C3 C2 C7 Cl4 179.5(3) .
C1 C2 C7 Cl4 -5.9(6) .
C5 C6 C7 C2 -0.5(7) .
Cl3 C6 C7 C2 179.3(4) .
C5 C6 C7 Cl4 178.1(4) .
Cl3 C6 C7 Cl4 -2.0(6) .
Pb2 O3 C8 O4 17.1(7) 4_566
Pb2 O3 C8 C5 -160.8(5) 4_566
Pb2 O4 C8 O3 -17.6(8) 4_566
Pb2 O4 C8 C5 160.3(4) 4_566
C6 C5 C8 O3 -102.3(7) .
C4 C5 C8 O3 80.6(7) .
C6 C5 C8 O4 79.6(7) .
C4 C5 C8 O4 -97.5(7) .
Pb2 O6 C9 O5 4.0(4) .
Pb2 O6 C9 C10 -177.4(3) .
Pb2 O5 C9 O6 -4.4(5) .
Pb1 O5 C9 O6 -133.3(4) .
Pb2 O5 C9 C10 177.0(3) .
Pb1 O5 C9 C10 48.0(6) .
O6 C9 C10 C15 92.4(5) .
O5 C9 C10 C15 -88.9(5) .
O6 C9 C10 C11 -87.5(5) .
O5 C9 C10 C11 91.2(5) .
C15 C10 C11 C12 2.1(6) .
C9 C10 C11 C12 -178.0(4) .
C15 C10 C11 Cl5 -179.4(3) .
C9 C10 C11 Cl5 0.5(5) .
C10 C11 C12 C13 -2.6(7) .
Cl5 C11 C12 C13 178.9(3) .
C10 C11 C12 Cl6 177.9(3) .
Cl5 C11 C12 Cl6 -0.6(5) .
C11 C12 C13 C14 1.2(6) .
Cl6 C12 C13 C14 -179.3(3) .
C11 C12 C13 C16 177.9(4) .
Cl6 C12 C13 C16 -2.6(6) .
C12 C13 C14 C15 0.8(7) .
C16 C13 C14 C15 -176.0(4) .
C12 C13 C14 Cl7 -179.0(3) .
C16 C13 C14 Cl7 4.3(6) .
C11 C10 C15 C14 -0.2(6) .
C9 C10 C15 C14 180.0(4) .
C11 C10 C15 Cl8 -179.1(3) .
C9 C10 C15 Cl8 1.0(5) .
C13 C14 C15 C10 -1.3(7) .
Cl7 C14 C15 C10 178.5(3) .
C13 C14 C15 Cl8 177.7(3) .
Cl7 C14 C15 Cl8 -2.6(6) .
Pb1 O7 C16 O8 138.0(5) 2_545
Pb2 O7 C16 O8 -2.2(5) 2_545
Pb1 O7 C16 C13 -43.9(8) 2_545
Pb2 O7 C16 C13 176.0(3) 2_545
C14 C13 C16 O8 90.1(6) .
C12 C13 C16 O8 -86.5(6) .
C14 C13 C16 O7 -88.1(5) .
C12 C13 C16 O7 95.2(5) .
Pb1 O9 C17 N1 176.6(4) .
C19 N1 C17 O9 -175.8(5) .
C18 N1 C17 O9 -3.7(8) .
Pb2 O10 C20 N2 -179.8(4) .
C22 N2 C20 O10 177.9(5) .
C21A N2 C20 O10 -16.0(11) .
C21B N2 C20 O10 21.0(13) .
O1 Pb1 O11A C23A 10.6(8) .
O9 Pb1 O11A C23A 109.1(8) .
O7 Pb1 O11A C23A -104.8(14) 2
O5 Pb1 O11A C23A -72.4(8) .
O11B Pb1 O11A C23A -28.0(15) .
C23B N3 C23A O11A -3.1(15) .
C25A N3 C23A O11A 165.7(9) .
C25B N3 C23A O11A -112(14) .
C24A N3 C23A O11A -6.2(14) .
C24B N3 C23A O11A -170(2) .
Pb1 O11A C23A N3 173.4(7) .
O1 Pb1 O11B C23B -148.4(19) .
O9 Pb1 O11B C23B -52(2) .
O7 Pb1 O11B C23B 152.3(14) 2
O11A Pb1 O11B C23B -5.0(14) .
O5 Pb1 O11B C23B 132.0(19) .
C23A N3 C23B O11B -17.0(13) .
C25A N3 C23B O11B -169(3) .
C25B N3 C23B O11B 157.8(16) .
C24A N3 C23B O11B 160(2) .
C24B N3 C23B O11B -6(2) .
Pb1 O11B C23B N3 157.8(14) .
