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#$Date: 2021-04-28 12:49:57 +0300 (Wed, 28 Apr 2021) $
#$Revision: 264643 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/22/1562217.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_1562217
loop_
_publ_author_name
'Hazari, Debdoot'
'Jana, Swapan Kumar'
'Fleck, Michel'
'Zangrando, Ennio'
'Dalai, Sudipta'
_publ_section_title
;
 Two three-dimensional coordination polymers of lead(II) with
 iminodiacetate and naphthalene-dicarboxylate anions: Synthesis,
 characterization and luminescence behavior
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              43
_journal_page_last               48
_journal_paper_doi               10.1016/j.jssc.2014.07.004
_journal_volume                  219
_journal_year                    2014
_chemical_formula_moiety         'C36 H33 N7 O13 Pb3, 2(H2 O)'
_chemical_formula_sum            'C36 H37 N7 O15 Pb3'
_chemical_formula_weight         1429.30
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 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                 106.355(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.4854(7)
_cell_length_b                   8.8120(3)
_cell_length_c                   25.1098(8)
_cell_measurement_temperature    296(2)
_cell_volume                     3924.7(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0728
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            25056
_diffrn_reflns_theta_full        30.99
_diffrn_reflns_theta_max         30.99
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    12.919
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; BRUKER, 2008'
_exptl_crystal_density_diffrn    2.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2672
_refine_diff_density_max         3.912
_refine_diff_density_min         -3.133
_refine_diff_density_rms         0.212
_refine_ls_extinction_coef       0.00010(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         6252
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.135
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0053P)²+70.9220P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.0968
_reflns_number_gt                5332
_reflns_number_total             6252
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2014-219-43.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1562217
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.134913(13) 1.10381(3) 0.142558(9) 0.02687(8) Uani 1 1 d . . .
N1A N 0.1499(3) 0.9788(7) 0.0523(2) 0.0334(12) Uani 1 1 d . . .
C1A C 0.0980(4) 0.8775(8) 0.0238(2) 0.0303(14) Uani 1 1 d . . .
C2A C 0.2060(4) 1.0159(10) 0.0317(3) 0.0435(18) Uani 1 1 d . . .
H2A H 0.2415 1.0860 0.0509 0.065 Uiso 1 1 calc R . .
C3A C 0.2144(5) 0.9548(12) -0.0176(3) 0.050(2) Uani 1 1 d . . .
H3A H 0.2547 0.9840 -0.0306 0.075 Uiso 1 1 calc R . .
C4A C 0.1636(5) 0.8531(11) -0.0462(3) 0.050(2) Uani 1 1 d . . .
H4A H 0.1685 0.8121 -0.0792 0.074 Uiso 1 1 calc R . .
C5A C 0.1029(4) 0.8094(9) -0.0256(3) 0.0378(16) Uani 1 1 d . . .
C6A C 0.0460(5) 0.7052(10) -0.0540(3) 0.050(2) Uani 1 1 d . . .
H6A H 0.0489 0.6608 -0.0869 0.075 Uiso 1 1 calc R . .
C7A C -0.0120(5) 0.6705(10) -0.0333(3) 0.048(2) Uani 1 1 d . . .
H7A H -0.0481 0.6014 -0.0523 0.072 Uiso 1 1 calc R . .
C8A C -0.0197(4) 0.7358(9) 0.0164(3) 0.0386(16) Uani 1 1 d . . .
C9A C -0.0784(4) 0.7022(10) 0.0392(4) 0.050(2) Uani 1 1 d . . .
H9A H -0.1155 0.6334 0.0213 0.075 Uiso 1 1 calc R . .
C10A C -0.0820(4) 0.7696(10) 0.0876(4) 0.0463(19) Uani 1 1 d . . .
H10A H -0.1210 0.7473 0.1030 0.070 Uiso 1 1 calc R . .
C11A C -0.0256(4) 0.8722(9) 0.1129(3) 0.0387(16) Uani 1 1 d . . .
H11A H -0.0281 0.9181 0.1457 0.058 Uiso 1 1 calc R . .
C12A C 0.0355(3) 0.8406(8) 0.0453(3) 0.0286(13) Uani 1 1 d . . .
N2A N 0.0315(3) 0.9086(7) 0.0931(2) 0.0313(12) Uani 1 1 d . . .
O1B O 0.0927(3) 1.0271(6) 0.2256(2) 0.0396(12) Uani 1 1 d . . .
O2B O 0.1454(3) 0.9576(7) 0.3132(2) 0.0415(12) Uani 1 1 d . . .
C1B C 0.1426(4) 0.9585(8) 0.2634(3) 0.0281(12) Uani 1 1 d . . .
C2B C 0.2042(3) 0.8764(8) 0.2459(3) 0.0300(13) Uani 1 1 d . . .
H2B1 H 0.2511 0.9318 0.2597 0.045 Uiso 1 1 calc R . .
H2B2 H 0.2112 0.7765 0.2628 0.045 Uiso 1 1 calc R . .
N1B N 0.1877(3) 0.8596(6) 0.1854(2) 0.0243(10) Uani 1 1 d . . .
H1B H 0.1520 0.7862 0.1739 0.029 Uiso 1 1 calc R . .
C3B C 0.2545(4) 0.8172(8) 0.1680(3) 0.0307(13) Uani 1 1 d . . .
H3B1 H 0.2385 0.7626 0.1331 0.046 Uiso 1 1 calc R . .
H3B2 H 0.2857 0.7494 0.1955 0.046 Uiso 1 1 calc R . .
C4B C 0.3010(3) 0.9536(8) 0.1611(2) 0.0275(12) Uani 1 1 d . . .
O3B O 0.2743(3) 1.0834(6) 0.1630(2) 0.0369(11) Uani 1 1 d . . .
O4B O 0.3629(3) 0.9278(7) 0.1520(2) 0.0418(12) Uani 1 1 d . . .
Pb2 Pb 0.02861(2) 0.24611(5) 0.271745(18) 0.02265(10) Uani 0.50 1 d P . .
O1C O 0.0906(4) 0.3581(6) 0.2033(3) 0.0552(17) Uani 1 1 d . . .
O2C O 0.1188(3) 0.5613(7) 0.1607(2) 0.0490(14) Uani 1 1 d . . .
C1C C 0.0870(4) 0.4967(8) 0.1920(3) 0.0344(15) Uani 1 1 d . . .
C2C C 0.0420(5) 0.5969(9) 0.2203(4) 0.050(2) Uani 1 1 d . . .
H2C1 H 0.0765 0.6648 0.2456 0.075 Uiso 1 1 calc R . .
H2C2 H 0.0078 0.6588 0.1923 0.075 Uiso 1 1 calc R . .
N1C N 0.0000 0.5176(10) 0.2500 0.038(2) Uani 1 2 d S . .
H1C H -0.0399 0.4995 0.2199 0.045 Uiso 0.50 1 d PR . .
O1W O -0.0554(6) 0.1981(14) 0.1813(4) 0.037(2) Uani 0.50 1 d P . .
H11W H -0.081(11) 0.14(2) 0.180(8) 0.055 Uiso 0.50 1 d P . .
H12W H -0.087(10) 0.29(2) 0.171(7) 0.055 Uiso 0.50 1 d P . .
O2W O 0.2048(4) 0.3937(8) 0.1074(2) 0.0481(14) Uani 1 1 d . . .
H21 H 0.178(6) 0.441(13) 0.123(4) 0.072 Uiso 1 1 d . . .
H22 H 0.247(6) 0.395(13) 0.129(4) 0.072 Uiso 1 1 d . . .
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'
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
N1B Pb1 O3B 65.77(16) . .
N1B Pb1 O1B 65.39(16) . .
O3B Pb1 O1B 110.75(17) . .
N1B Pb1 N1A 83.39(18) . .
O3B Pb1 N1A 77.95(17) . .
O1B Pb1 N1A 137.87(19) . .
N1B Pb1 N2A 77.31(17) . .
O3B Pb1 N2A 128.86(17) . .
O1B Pb1 N2A 82.02(18) . .
N1A Pb1 N2A 63.27(18) . .
C2A N1A C1A 118.2(6) . .
C2A N1A Pb1 121.5(5) . .
C1A N1A Pb1 120.2(4) . .
N1A C1A C5A 122.2(6) . .
N1A C1A C12A 118.3(6) . .
C5A C1A C12A 119.5(7) . .
N1A C2A C3A 123.0(8) . .
N1A C2A H2A 118.5 . .
C3A C2A H2A 118.5 . .
C4A C3A C2A 119.6(8) . .
C4A C3A H3A 120.2 . .
C2A C3A H3A 120.2 . .
C3A C4A C5A 119.3(7) . .
C3A C4A H4A 120.3 . .
C5A C4A H4A 120.3 . .
C1A C5A C4A 117.6(7) . .
C1A C5A C6A 119.6(7) . .
C4A C5A C6A 122.8(7) . .
C7A C6A C5A 120.5(7) . .
C7A C6A H6A 119.8 . .
C5A C6A H6A 119.8 . .
C6A C7A C8A 122.3(8) . .
C6A C7A H7A 118.9 . .
C8A C7A H7A 118.9 . .
C9A C8A C12A 117.5(7) . .
C9A C8A C7A 123.9(8) . .
C12A C8A C7A 118.6(7) . .
C10A C9A C8A 120.6(7) . .
C10A C9A H9A 119.7 . .
C8A C9A H9A 119.7 . .
C9A C10A C11A 118.0(7) . .
C9A C10A H10A 121.0 . .
C11A C10A H10A 121.0 . .
N2A C11A C10A 123.9(7) . .
N2A C11A H11A 118.0 . .
C10A C11A H11A 118.0 . .
N2A C12A C8A 121.9(6) . .
N2A C12A C1A 118.6(6) . .
C8A C12A C1A 119.5(6) . .
C11A N2A C12A 118.1(6) . .
C11A N2A Pb1 122.2(5) . .
C12A N2A Pb1 119.7(4) . .
C1B O1B Pb1 114.5(4) . .
C1B O1B Pb2 109.5(4) . 1_565
Pb1 O1B Pb2 116.1(2) . 1_565
O2B C1B O1B 124.8(6) . .
O2B C1B C2B 118.0(6) . .
O1B C1B C2B 117.2(5) . .
N1B C2B C1B 113.1(5) . .
N1B C2B H2B1 109.0 . .
C1B C2B H2B1 109.0 . .
N1B C2B H2B2 109.0 . .
C1B C2B H2B2 109.0 . .
H2B1 C2B H2B2 107.8 . .
C3B N1B C2B 112.6(5) . .
C3B N1B Pb1 110.7(4) . .
C2B N1B Pb1 107.6(4) . .
C3B N1B H1B 108.6 . .
C2B N1B H1B 108.6 . .
Pb1 N1B H1B 108.6 . .
N1B C3B C4B 112.6(5) . .
N1B C3B H3B1 109.1 . .
C4B C3B H3B1 109.1 . .
N1B C3B H3B2 109.1 . .
C4B C3B H3B2 109.1 . .
H3B1 C3B H3B2 107.8 . .
O4B C4B O3B 124.4(6) . .
O4B C4B C3B 117.1(6) . .
O3B C4B C3B 118.4(5) . .
C4B O3B Pb1 117.1(4) . .
O1W Pb2 Pb2 146.3(5) 2 2
O1W Pb2 O1W 146.3(8) 2 .
Pb2 Pb2 O1W 16.3(3) 2 .
O1W Pb2 N1C 123.5(6) 2 .
Pb2 Pb2 N1C 74.93(5) 2 .
O1W Pb2 N1C 85.4(3) . .
O1W Pb2 O1C 131.1(5) 2 .
Pb2 Pb2 O1C 81.06(17) 2 .
O1W Pb2 O1C 73.8(3) . .
N1C Pb2 O1C 65.27(12) . .
O1W Pb2 O1C 92.2(5) 2 2
Pb2 Pb2 O1C 70.19(16) 2 2
O1W Pb2 O1C 86.0(3) . 2
N1C Pb2 O1C 63.38(12) . 2
O1C Pb2 O1C 125.8(2) . 2
O1W Pb2 O1B 93.4(5) 2 1_545
Pb2 Pb2 O1B 89.49(11) 2 1_545
O1W Pb2 O1B 73.3(3) . 1_545
N1C Pb2 O1B 133.66(11) . 1_545
O1C Pb2 O1B 69.37(17) . 1_545
O1C Pb2 O1B 150.01(18) 2 1_545
C1C O1C Pb2 122.0(4) . .
C1C O1C Pb2 115.0(4) . 2
Pb2 O1C Pb2 28.75(6) . 2
O2C C1C O1C 125.8(7) . .
O2C C1C C2C 116.6(7) . .
O1C C1C C2C 117.6(6) . .
N1C C2C C1C 114.6(7) . .
N1C C2C H2C1 108.6 . .
C1C C2C H2C1 108.6 . .
N1C C2C H2C2 108.6 . .
C1C C2C H2C2 108.6 . .
H2C1 C2C H2C2 107.6 . .
C2C N1C C2C 120.3(9) . 2
C2C N1C Pb2 118.6(4) . 2
C2C N1C Pb2 118.8(4) 2 2
C2C N1C Pb2 118.8(4) . .
C2C N1C Pb2 118.6(4) 2 .
Pb2 N1C Pb2 30.15(10) 2 .
C2C N1C H1C 95.0 . .
C2C N1C H1C 95.0 2 .
Pb2 N1C H1C 64.8 2 .
Pb2 N1C H1C 95.0 . .
Pb2 O1W Pb2 17.3(3) 2 .
Pb2 O1W H11W 112(10) 2 .
Pb2 O1W H11W 114(10) . .
Pb2 O1W H12W 91(10) 2 .
Pb2 O1W H12W 107(10) . .
H11W O1W H12W 106(10) . .
H21 O2W H22 107(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 N1B 2.479(5) .
Pb1 O3B 2.487(5) .
Pb1 O1B 2.518(5) .
Pb1 N1A 2.605(6) .
Pb1 N2A 2.611(6) .
N1A C2A 1.324(9) .
N1A C1A 1.358(9) .
C1A C5A 1.405(9) .
C1A C12A 1.442(9) .
C2A C3A 1.398(11) .
C2A H2A 0.9300 .
C3A C4A 1.349(13) .
C3A H3A 0.9300 .
C4A C5A 1.415(11) .
C4A H4A 0.9300 .
C5A C6A 1.427(12) .
C6A C7A 1.351(12) .
C6A H6A 0.9300 .
C7A C8A 1.419(11) .
C7A H7A 0.9300 .
C8A C9A 1.393(11) .
C8A C12A 1.415(10) .
C9A C10A 1.372(12) .
C9A H9A 0.9300 .
C10A C11A 1.392(11) .
C10A H10A 0.9300 .
C11A N2A 1.328(9) .
C11A H11A 0.9300 .
C12A N2A 1.361(8) .
O1B C1B 1.275(8) .
O1B Pb2 2.690(5) 1_565
O2B C1B 1.237(8) .
C1B C2B 1.516(9) .
C2B N1B 1.471(8) .
C2B H2B1 0.9700 .
C2B H2B2 0.9700 .
N1B C3B 1.469(8) .
N1B H1B 0.9100 .
C3B C4B 1.517(9) .
C3B H3B1 0.9700 .
C3B H3B2 0.9700 .
C4B O4B 1.249(8) .
C4B O3B 1.253(8) .
Pb2 O1W 1.218(10) 2
Pb2 Pb2 1.2887(9) 2
Pb2 O1W 2.400(10) .
Pb2 N1C 2.478(8) .
Pb2 O1C 2.521(6) .
Pb2 O1C 2.647(5) 2
Pb2 O1B 2.690(5) 1_545
O1C C1C 1.251(9) .
O1C Pb2 2.647(5) 2
O2C C1C 1.244(8) .
C1C C2C 1.520(10) .
C2C N1C 1.404(8) .
C2C H2C1 0.9700 .
C2C H2C2 0.9700 .
N1C C2C 1.404(8) 2
N1C Pb2 2.478(8) 2
N1C H1C 0.9100 .
O1W Pb2 1.218(10) 2
O1W H11W 0.7(2) .
O1W H12W 1.0(2) .
O2W H21 0.83(11) .
O2W H22 0.82(11) .
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N1B Pb1 N1A C2A -102.9(6) . . . .
O3B Pb1 N1A C2A -36.3(6) . . . .
O1B Pb1 N1A C2A -144.0(5) . . . .
N2A Pb1 N1A C2A 178.0(6) . . . .
N1B Pb1 N1A C1A 79.9(5) . . . .
O3B Pb1 N1A C1A 146.4(5) . . . .
O1B Pb1 N1A C1A 38.7(6) . . . .
N2A Pb1 N1A C1A 0.8(5) . . . .
C2A N1A C1A C5A 1.4(10) . . . .
Pb1 N1A C1A C5A 178.7(5) . . . .
C2A N1A C1A C12A -178.0(7) . . . .
Pb1 N1A C1A C12A -0.7(8) . . . .
C1A N1A C2A C3A -0.5(12) . . . .
Pb1 N1A C2A C3A -177.9(6) . . . .
N1A C2A C3A C4A 0.1(14) . . . .
C2A C3A C4A C5A -0.4(13) . . . .
N1A C1A C5A C4A -1.6(11) . . . .
C12A C1A C5A C4A 177.7(6) . . . .
N1A C1A C5A C6A -179.2(7) . . . .
C12A C1A C5A C6A 0.1(10) . . . .
C3A C4A C5A C1A 1.1(12) . . . .
C3A C4A C5A C6A 178.6(8) . . . .
C1A C5A C6A C7A -0.7(12) . . . .
C4A C5A C6A C7A -178.1(8) . . . .
C5A C6A C7A C8A 0.7(13) . . . .
C6A C7A C8A C9A -179.6(8) . . . .
C6A C7A C8A C12A -0.1(12) . . . .
C12A C8A C9A C10A 0.3(12) . . . .
C7A C8A C9A C10A 179.8(8) . . . .
C8A C9A C10A C11A 0.2(13) . . . .
C9A C10A C11A N2A -0.1(13) . . . .
C9A C8A C12A N2A -0.9(10) . . . .
C7A C8A C12A N2A 179.5(7) . . . .
C9A C8A C12A C1A 179.1(7) . . . .
C7A C8A C12A C1A -0.4(10) . . . .
N1A C1A C12A N2A -0.1(9) . . . .
C5A C1A C12A N2A -179.6(6) . . . .
N1A C1A C12A C8A 179.8(6) . . . .
C5A C1A C12A C8A 0.4(9) . . . .
C10A C11A N2A C12A -0.5(11) . . . .
C10A C11A N2A Pb1 179.6(6) . . . .
C8A C12A N2A C11A 1.0(10) . . . .
C1A C12A N2A C11A -179.0(6) . . . .
C8A C12A N2A Pb1 -179.0(5) . . . .
C1A C12A N2A Pb1 0.9(8) . . . .
N1B Pb1 N2A C11A 90.1(5) . . . .
O3B Pb1 N2A C11A 134.0(5) . . . .
O1B Pb1 N2A C11A 23.7(5) . . . .
N1A Pb1 N2A C11A 179.1(6) . . . .
N1B Pb1 N2A C12A -89.8(5) . . . .
O3B Pb1 N2A C12A -46.0(5) . . . .
O1B Pb1 N2A C12A -156.2(5) . . . .
N1A Pb1 N2A C12A -0.8(4) . . . .
N1B Pb1 O1B C1B 35.3(5) . . . .
O3B Pb1 O1B C1B -13.7(5) . . . .
N1A Pb1 O1B C1B 81.2(5) . . . .
N2A Pb1 O1B C1B 114.9(5) . . . .
N1B Pb1 O1B Pb2 164.6(3) . . . 1_565
O3B Pb1 O1B Pb2 115.6(2) . . . 1_565
N1A Pb1 O1B Pb2 -149.5(2) . . . 1_565
N2A Pb1 O1B Pb2 -115.8(2) . . . 1_565
Pb1 O1B C1B O2B 153.5(6) . . . .
Pb2 O1B C1B O2B 21.0(9) 1_565 . . .
Pb1 O1B C1B C2B -24.6(8) . . . .
Pb2 O1B C1B C2B -157.2(5) 1_565 . . .
O2B C1B C2B N1B 168.9(6) . . . .
O1B C1B C2B N1B -12.9(9) . . . .
C1B C2B N1B C3B 165.0(5) . . . .
C1B C2B N1B Pb1 42.7(6) . . . .
O3B Pb1 N1B C3B -32.4(4) . . . .
O1B Pb1 N1B C3B -161.7(5) . . . .
N1A Pb1 N1B C3B 47.4(4) . . . .
N2A Pb1 N1B C3B 111.4(4) . . . .
O3B Pb1 N1B C2B 91.0(4) . . . .
O1B Pb1 N1B C2B -38.3(4) . . . .
N1A Pb1 N1B C2B 170.8(4) . . . .
N2A Pb1 N1B C2B -125.2(4) . . . .
C2B N1B C3B C4B -85.4(7) . . . .
Pb1 N1B C3B C4B 35.1(6) . . . .
N1B C3B C4B O4B 172.9(5) . . . .
N1B C3B C4B O3B -9.3(8) . . . .
O4B C4B O3B Pb1 155.2(5) . . . .
C3B C4B O3B Pb1 -22.4(7) . . . .
N1B Pb1 O3B C4B 30.4(4) . . . .
O1B Pb1 O3B C4B 79.2(5) . . . .
N1A Pb1 O3B C4B -57.7(5) . . . .
N2A Pb1 O3B C4B -17.4(6) . . . .
O1W Pb2 O1C C1C -107.3(10) 2 . . .
Pb2 Pb2 O1C C1C 84.0(7) 2 . . .
O1W Pb2 O1C C1C 99.0(7) . . . .
N1C Pb2 O1C C1C 6.5(6) . . . .
O1C Pb2 O1C C1C 26.4(6) 2 . . .
O1B Pb2 O1C C1C 176.8(7) 1_545 . . .
O1W Pb2 O1C Pb2 168.7(8) 2 . . 2
O1W Pb2 O1C Pb2 15.0(3) . . . 2
N1C Pb2 O1C Pb2 -77.45(10) . . . 2
O1C Pb2 O1C Pb2 -57.56(16) 2 . . 2
O1B Pb2 O1C Pb2 92.84(14) 1_545 . . 2
Pb2 O1C C1C O2C 176.6(6) . . . .
Pb2 O1C C1C O2C -151.6(7) 2 . . .
Pb2 O1C C1C C2C -1.3(10) . . . .
Pb2 O1C C1C C2C 30.5(10) 2 . . .
O2C C1C C2C N1C 172.9(7) . . . .
O1C C1C C2C N1C -9.0(12) . . . .
C1C C2C N1C C2C 177.8(10) . . . 2
C1C C2C N1C Pb2 -19.5(9) . . . 2
C1C C2C N1C Pb2 15.0(9) . . . .
O1W Pb2 N1C C2C 113.0(8) 2 . . .
Pb2 Pb2 N1C C2C -98.2(5) 2 . . .
O1W Pb2 N1C C2C -85.4(6) . . . .
O1C Pb2 N1C C2C -11.2(5) . . . .
O1C Pb2 N1C C2C -173.2(5) 2 . . .
O1B Pb2 N1C C2C -23.8(5) 1_545 . . .
O1W Pb2 N1C C2C -50.0(8) 2 . . 2
Pb2 Pb2 N1C C2C 98.8(5) 2 . . 2
O1W Pb2 N1C C2C 111.5(6) . . . 2
O1C Pb2 N1C C2C -174.2(5) . . . 2
O1C Pb2 N1C C2C 23.7(5) 2 . . 2
O1B Pb2 N1C C2C 173.1(5) 1_545 . . 2
O1W Pb2 N1C Pb2 -148.8(6) 2 . . 2
O1W Pb2 N1C Pb2 12.7(2) . . . 2
O1C Pb2 N1C Pb2 86.95(19) . . . 2
O1C Pb2 N1C Pb2 -75.07(18) 2 . . 2
O1B Pb2 N1C Pb2 74.34(17) 1_545 . . 2
O1W Pb2 O1W Pb2 102.5(16) 2 . . 2
N1C Pb2 O1W Pb2 -49.0(9) . . . 2
O1C Pb2 O1W Pb2 -114.6(10) . . . 2
O1C Pb2 O1W Pb2 14.5(9) 2 . . 2
O1B Pb2 O1W Pb2 172.6(10) 1_545 . . 2
