#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:52:30 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179601 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/65/4506503.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_4506503
loop_
_publ_author_name
'Zhang, Ying'
'Yang, Jin'
'Yang, Yan'
'Guo, Jiao'
'Ma, Jian-Fang'
_publ_section_title
;
 Syntheses, Structures, and Luminescent Properties of a Series of
 Coordination Compounds Based on (4-Carboxylphenyl)
 (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4060
_journal_paper_doi               10.1021/cg300540d
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C33 H24 N2 O6 Pb'
_chemical_formula_sum            'C33 H24 N2 O6 Pb'
_chemical_formula_weight         751.73
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.786(4)
_cell_angle_beta                 95.302(4)
_cell_angle_gamma                110.196(4)
_cell_formula_units_Z            2
_cell_length_a                   10.4190(4)
_cell_length_b                   10.4980(4)
_cell_length_c                   13.8930(7)
_cell_measurement_reflns_used    4166
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1571
_cell_measurement_theta_min      2.9140
_cell_volume                     1373.97(11)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0703
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8538
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    6.191
_exptl_absorpt_correction_T_max  0.9294
_exptl_absorpt_correction_T_min  0.6372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             732
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.531
_refine_diff_density_min         -1.104
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4837
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0246P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0715
_refine_ls_wR_factor_ref         0.0782
_reflns_number_gt                4295
_reflns_number_total             4837
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            cg300540d_si_002.cif
_cod_data_source_block           Compound-14
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1373.97(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4506503
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Pb1 Pb 0.60284(2) 0.20223(2) 0.428693(19) 0.03768(10) Uani 1 1 d .
C1 C 1.6163(5) 0.0472(6) -0.3137(5) 0.0337(14) Uani 1 1 d .
C2 C 1.7464(5) 0.1594(5) -0.2486(5) 0.0333(14) Uani 1 1 d .
C3 C 1.8633(6) 0.1915(6) -0.2939(5) 0.0446(17) Uani 1 1 d .
H3 H 1.8554 0.1489 -0.3609 0.054 Uiso 1 1 calc R
C4 C 1.9909(7) 0.2859(7) -0.2404(6) 0.057(2) Uani 1 1 d .
H4 H 2.0697 0.3027 -0.2700 0.068 Uiso 1 1 calc R
C5 C 2.0000(6) 0.3541(7) -0.1437(6) 0.055(2) Uani 1 1 d .
H5 H 2.0851 0.4201 -0.1082 0.066 Uiso 1 1 calc R
C6 C 1.8850(6) 0.3267(6) -0.0979(5) 0.0454(17) Uani 1 1 d .
H6 H 1.8935 0.3742 -0.0319 0.054 Uiso 1 1 calc R
C7 C 1.7547(6) 0.2275(5) -0.1501(5) 0.0343(14) Uani 1 1 d .
C8 C 1.6340(6) 0.2011(5) -0.0960(5) 0.0379(15) Uani 1 1 d .
C9 C 1.6534(6) 0.2039(6) 0.0043(5) 0.0426(16) Uani 1 1 d .
H9 H 1.7420 0.2234 0.0380 0.051 Uiso 1 1 calc R
C10 C 1.5424(6) 0.1781(6) 0.0556(6) 0.0484(17) Uani 1 1 d .
H10 H 1.5581 0.1820 0.1233 0.058 Uiso 1 1 calc R
C11 C 1.4107(6) 0.1470(6) 0.0079(5) 0.0397(16) Uani 1 1 d .
C12 C 1.3891(6) 0.1457(6) -0.0922(5) 0.0436(16) Uani 1 1 d .
H12 H 1.3003 0.1275 -0.1251 0.052 Uiso 1 1 calc R
C13 C 1.4995(6) 0.1714(6) -0.1435(5) 0.0373(15) Uani 1 1 d .
H13 H 1.4835 0.1688 -0.2109 0.045 Uiso 1 1 calc R
C14 C 1.2906(7) 0.1054(7) 0.0617(6) 0.053(2) Uani 1 1 d .
H14A H 1.2222 0.0149 0.0246 0.064 Uiso 1 1 calc R
H14B H 1.3224 0.0975 0.1272 0.064 Uiso 1 1 calc R
C15 C 1.1230(6) 0.1912(6) 0.1251(5) 0.0407(16) Uani 1 1 d .
C16 C 1.0764(6) 0.0835(6) 0.1710(6) 0.0476(18) Uani 1 1 d .
H16 H 1.1147 0.0148 0.1651 0.057 Uiso 1 1 calc R
C17 C 0.9717(6) 0.0791(6) 0.2262(6) 0.0491(18) Uani 1 1 d .
H17 H 0.9401 0.0063 0.2572 0.059 Uiso 1 1 calc R
C18 C 0.9119(6) 0.1801(6) 0.2368(5) 0.0387(15) Uani 1 1 d .
C19 C 0.9595(6) 0.2855(6) 0.1893(5) 0.0396(15) Uani 1 1 d .
H19 H 0.9210 0.3538 0.1948 0.048 Uiso 1 1 calc R
C20 C 1.0636(6) 0.2919(6) 0.1332(5) 0.0430(16) Uani 1 1 d .
H20 H 1.0938 0.3636 0.1011 0.052 Uiso 1 1 calc R
C21 C 0.8040(6) 0.1762(7) 0.3007(6) 0.0463(17) Uani 1 1 d .
C22 C 0.2941(6) 0.1475(6) 0.5313(5) 0.0495(18) Uani 1 1 d .
H22 H 0.3288 0.0889 0.5578 0.059 Uiso 1 1 calc R
C23 C 0.1659(6) 0.1503(7) 0.5504(6) 0.0538(19) Uani 1 1 d .
H23 H 0.1142 0.0909 0.5859 0.065 Uiso 1 1 calc R
C24 C 0.1177(6) 0.2399(7) 0.5170(6) 0.056(2) Uani 1 1 d .
H24 H 0.0331 0.2438 0.5303 0.068 Uiso 1 1 calc R
C25 C 0.1951(6) 0.3269(6) 0.4624(5) 0.0424(16) Uani 1 1 d .
C26 C 0.1509(7) 0.4247(7) 0.4250(6) 0.0546(19) Uani 1 1 d .
H26 H 0.0697 0.4356 0.4403 0.066 Uiso 1 1 calc R
C27 C 0.2239(7) 0.5010(7) 0.3683(6) 0.0533(19) Uani 1 1 d .
H27 H 0.1926 0.5638 0.3448 0.064 Uiso 1 1 calc R
C28 C 0.3500(7) 0.4871(6) 0.3432(6) 0.0484(18) Uani 1 1 d .
C29 C 0.4233(8) 0.5589(7) 0.2803(6) 0.061(2) Uani 1 1 d .
H29 H 0.3915 0.6185 0.2528 0.074 Uiso 1 1 calc R
C30 C 0.5424(8) 0.5421(7) 0.2586(7) 0.070(2) Uani 1 1 d .
H30 H 0.5926 0.5901 0.2165 0.084 Uiso 1 1 calc R
C31 C 0.5876(7) 0.4520(6) 0.3004(6) 0.0528(19) Uani 1 1 d .
H31 H 0.6688 0.4411 0.2851 0.063 Uiso 1 1 calc R
C32 C 0.3990(6) 0.3956(5) 0.3809(5) 0.0371(15) Uani 1 1 d .
C33 C 0.3208(5) 0.3145(6) 0.4424(5) 0.0353(14) Uani 1 1 d .
N1 N 0.3687(5) 0.2252(5) 0.4769(4) 0.0412(13) Uani 1 1 d .
N2 N 0.5204(5) 0.3808(5) 0.3612(4) 0.0418(13) Uani 1 1 d .
O1 O 0.7563(5) 0.2729(5) 0.3090(4) 0.0606(14) Uani 1 1 d .
O2 O 0.7650(5) 0.0810(5) 0.3446(4) 0.0630(15) Uani 1 1 d .
O3 O 1.2293(4) 0.2092(4) 0.0715(4) 0.0478(12) Uani 1 1 d .
O4 O 1.5693(4) 0.0633(4) -0.3936(4) 0.0477(11) Uani 1 1 d .
O5 O 1.5639(4) -0.0649(4) -0.2851(3) 0.0388(10) Uani 1 1 d .
O1W O 2.3405(14) 0.4588(12) -0.0146(13) 0.262(7) Uani 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
O5 Pb1 O1 84.54(16) 2_755 1
O5 Pb1 O1 84.54(16) 2_755 .
O1 Pb1 O1 0.00(16) 1 .
O5 Pb1 N2 75.51(15) 2_755 .
O1 Pb1 N2 76.06(15) 1 .
O1 Pb1 N2 76.06(15) . .
O5 Pb1 O4 51.90(13) 2_755 2_755
O1 Pb1 O4 119.38(15) 1 2_755
O1 Pb1 O4 119.38(15) . 2_755
N2 Pb1 O4 119.69(14) . 2_755
O5 Pb1 O2 84.77(15) 2_755 .
O1 Pb1 O2 50.67(14) 1 .
O1 Pb1 O2 50.67(14) . .
N2 Pb1 O2 124.70(15) . .
O4 Pb1 O2 81.76(13) 2_755 .
O5 Pb1 N1 76.73(15) 2_755 .
O1 Pb1 N1 137.59(16) 1 .
O1 Pb1 N1 137.59(16) . .
N2 Pb1 N1 62.60(15) . .
O4 Pb1 N1 77.04(13) 2_755 .
O2 Pb1 N1 157.68(15) . .
O5 Pb1 C1 26.27(16) 2_755 2_755
O1 Pb1 C1 103.80(17) 1 2_755
O1 Pb1 C1 103.80(17) . 2_755
N2 Pb1 C1 97.44(16) . 2_755
O4 Pb1 C1 25.69(15) 2_755 2_755
O2 Pb1 C1 83.73(15) . 2_755
N1 Pb1 C1 74.15(15) . 2_755
O4 C1 O5 122.9(5) . .
O4 C1 C2 120.0(5) . .
O5 C1 C2 117.0(6) . .
O4 C1 Pb1 68.5(3) . 2_755
O5 C1 Pb1 54.6(3) . 2_755
C2 C1 Pb1 168.4(4) . 2_755
C7 C2 C3 120.4(6) . .
C7 C2 C1 124.5(5) . .
C3 C2 C1 115.1(6) . .
C4 C3 C2 120.8(7) . .
C4 C3 H3 119.6 . .
C2 C3 H3 119.6 . .
C5 C4 C3 119.2(6) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
C4 C5 C6 121.1(6) . .
C4 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
C5 C6 C7 120.6(6) . .
C5 C6 H6 119.7 . .
C7 C6 H6 119.7 . .
C2 C7 C6 117.9(5) . .
C2 C7 C8 124.0(5) . .
C6 C7 C8 118.2(6) . .
C9 C8 C13 117.5(6) . .
C9 C8 C7 120.1(6) . .
C13 C8 C7 122.3(6) . .
C8 C9 C10 121.0(6) . .
C8 C9 H9 119.5 . .
C10 C9 H9 119.5 . .
C11 C10 C9 120.9(7) . .
C11 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C10 C11 C12 119.1(5) . .
C10 C11 C14 120.1(6) . .
C12 C11 C14 120.7(6) . .
C13 C12 C11 120.1(6) . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C12 C13 C8 121.3(6) . .
C12 C13 H13 119.3 . .
C8 C13 H13 119.3 . .
O3 C14 C11 109.2(5) . .
O3 C14 H14A 109.8 . .
C11 C14 H14A 109.8 . .
O3 C14 H14B 109.8 . .
C11 C14 H14B 109.8 . .
H14A C14 H14B 108.3 . .
O3 C15 C16 124.1(5) . .
O3 C15 C20 115.8(5) . .
C16 C15 C20 120.1(5) . .
C15 C16 C17 118.8(5) . .
C15 C16 H16 120.6 . .
C17 C16 H16 120.6 . .
C16 C17 C18 122.2(6) . .
C16 C17 H17 118.9 . .
C18 C17 H17 118.9 . .
C19 C18 C17 117.6(5) . .
C19 C18 C21 121.5(5) . .
C17 C18 C21 120.9(6) . .
C18 C19 C20 121.3(5) . .
C18 C19 H19 119.3 . .
C20 C19 H19 119.3 . .
C19 C20 C15 119.9(5) . .
C19 C20 H20 120.1 . .
C15 C20 H20 120.1 . .
O2 C21 O1 122.2(6) . 1
O2 C21 O1 122.2(6) . .
O1 C21 O1 0.0(3) 1 .
O2 C21 C18 120.1(6) . .
O1 C21 C18 117.7(6) 1 .
O1 C21 C18 117.7(6) . .
N1 C22 C23 122.6(6) . .
N1 C22 H22 118.7 . .
C23 C22 H22 118.7 . .
C24 C23 C22 119.3(6) . .
C24 C23 H23 120.3 . .
C22 C23 H23 120.3 . .
C23 C24 C25 119.8(6) . .
C23 C24 H24 120.1 . .
C25 C24 H24 120.1 . .
C24 C25 C33 117.7(6) . .
C24 C25 C26 123.0(6) . .
C33 C25 C26 119.3(6) . .
C27 C26 C25 121.4(6) . .
C27 C26 H26 119.3 . .
C25 C26 H26 119.3 . .
C26 C27 C28 120.8(6) . .
C26 C27 H27 119.6 . .
C28 C27 H27 119.6 . .
C29 C28 C32 118.4(6) . .
C29 C28 C27 122.0(6) . .
C32 C28 C27 119.6(6) . .
C30 C29 C28 119.8(7) . .
C30 C29 H29 120.1 . .
C28 C29 H29 120.1 . .
C29 C30 C31 119.0(7) . .
C29 C30 H30 120.5 . .
C31 C30 H30 120.5 . .
N2 C31 C30 123.2(6) . .
N2 C31 H31 118.4 . .
C30 C31 H31 118.4 . .
N2 C32 C28 121.9(6) . .
N2 C32 C33 118.6(5) . .
C28 C32 C33 119.4(5) . .
N1 C33 C25 121.9(6) . .
N1 C33 C32 118.6(5) . .
C25 C33 C32 119.4(6) . .
C22 N1 C33 118.4(5) . .
C22 N1 Pb1 122.0(4) . .
C33 N1 Pb1 119.5(4) . .
C31 N2 C32 117.5(6) . .
C31 N2 Pb1 121.6(4) . .
C32 N2 Pb1 120.6(4) . .
O1 O1 C21 0(10) 1 .
O1 O1 Pb1 0(10) 1 .
C21 O1 Pb1 98.0(4) . .
C21 O2 Pb1 89.0(4) . .
C15 O3 C14 116.5(4) . .
C1 O4 Pb1 85.8(3) . 2_755
C1 O5 Pb1 99.1(4) . 2_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O5 2.351(4) 2_755
Pb1 O1 2.459(4) 1
Pb1 O1 2.459(4) .
Pb1 N2 2.610(5) .
Pb1 O4 2.656(4) 2_755
Pb1 O2 2.661(4) .
Pb1 N1 2.665(5) .
Pb1 C1 2.848(6) 2_755
C1 O4 1.238(7) .
C1 O5 1.277(7) .
C1 C2 1.509(8) .
C1 Pb1 2.848(6) 2_755
C2 C7 1.388(8) .
C2 C3 1.392(7) .
C3 C4 1.381(9) .
C3 H3 0.9300 .
C4 C5 1.365(10) .
C4 H4 0.9300 .
C5 C6 1.379(8) .
C5 H5 0.9300 .
C6 C7 1.410(8) .
C6 H6 0.9300 .
C7 C8 1.498(8) .
C8 C9 1.383(9) .
C8 C13 1.393(8) .
C9 C10 1.390(8) .
C9 H9 0.9300 .
C10 C11 1.364(9) .
C10 H10 0.9300 .
C11 C12 1.385(9) .
C11 C14 1.498(7) .
C12 C13 1.385(8) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 O3 1.432(7) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 O3 1.372(6) .
C15 C16 1.376(8) .
C15 C20 1.389(8) .
C16 C17 1.384(8) .
C16 H16 0.9300 .
C17 C18 1.393(8) .
C17 H17 0.9300 .
C18 C19 1.373(8) .
C18 C21 1.490(8) .
C19 C20 1.383(8) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 O2 1.245(8) .
C21 O1 1.266(7) 1
C21 O1 1.266(7) .
C22 N1 1.328(7) .
C22 C23 1.395(8) .
C22 H22 0.9300 .
C23 C24 1.348(9) .
C23 H23 0.9300 .
C24 C25 1.395(9) .
C24 H24 0.9300 .
C25 C33 1.407(8) .
C25 C26 1.427(9) .
C26 C27 1.336(9) .
C26 H26 0.9300 .
C27 C28 1.438(9) .
C27 H27 0.9300 .
C28 C29 1.383(9) .
C28 C32 1.397(8) .
C29 C30 1.364(10) .
C29 H29 0.9300 .
C30 C31 1.390(10) .
C30 H30 0.9300 .
C31 N2 1.330(8) .
C31 H31 0.9300 .
C32 N2 1.370(7) .
C32 C33 1.438(8) .
C33 N1 1.349(7) .
O1 O1 0.000(11) 1
O4 Pb1 2.656(4) 2_755
O5 Pb1 2.351(4) 2_755
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C14 H14B O5 0.97 2.54 3.498(9) 170.4 2_855
C22 H22 O2 0.93 2.45 3.158(8) 132.8 2_656
C31 H31 O1 0.93 2.31 2.997(8) 129.9 1
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_4
O4 C1 C2 C7 122.1(7) . .
O5 C1 C2 C7 -61.6(7) . .
Pb1 C1 C2 C7 -103(2) 2_755 .
O4 C1 C2 C3 -58.6(7) . .
O5 C1 C2 C3 117.7(6) . .
Pb1 C1 C2 C3 76(2) 2_755 .
C7 C2 C3 C4 3.4(9) . .
C1 C2 C3 C4 -175.9(6) . .
C2 C3 C4 C5 -3.8(10) . .
C3 C4 C5 C6 2.2(11) . .
C4 C5 C6 C7 -0.2(11) . .
C3 C2 C7 C6 -1.4(8) . .
C1 C2 C7 C6 177.9(5) . .
C3 C2 C7 C8 179.1(5) . .
C1 C2 C7 C8 -1.7(9) . .
C5 C6 C7 C2 -0.2(9) . .
C5 C6 C7 C8 179.3(6) . .
C2 C7 C8 C9 143.6(6) . .
C6 C7 C8 C9 -35.9(8) . .
C2 C7 C8 C13 -35.6(8) . .
C6 C7 C8 C13 144.9(6) . .
C13 C8 C9 C10 0.0(8) . .
C7 C8 C9 C10 -179.3(5) . .
C8 C9 C10 C11 1.0(9) . .
C9 C10 C11 C12 -2.0(9) . .
C9 C10 C11 C14 173.8(5) . .
C10 C11 C12 C13 2.0(9) . .
C14 C11 C12 C13 -173.8(5) . .
C11 C12 C13 C8 -1.0(9) . .
C9 C8 C13 C12 0.0(8) . .
C7 C8 C13 C12 179.2(5) . .
C10 C11 C14 O3 115.5(7) . .
C12 C11 C14 O3 -68.7(8) . .
O3 C15 C16 C17 177.7(6) . .
C20 C15 C16 C17 -1.0(11) . .
C15 C16 C17 C18 0.0(11) . .
C16 C17 C18 C19 0.7(10) . .
C16 C17 C18 C21 -177.1(6) . .
C17 C18 C19 C20 -0.4(10) . .
C21 C18 C19 C20 177.4(6) . .
C18 C19 C20 C15 -0.6(10) . .
O3 C15 C20 C19 -177.4(6) . .
C16 C15 C20 C19 1.3(10) . .
C19 C18 C21 O2 -178.5(7) . .
C17 C18 C21 O2 -0.8(10) . .
C19 C18 C21 O1 0.6(10) . 1
C17 C18 C21 O1 178.4(6) . 1
C19 C18 C21 O1 0.6(10) . .
C17 C18 C21 O1 178.4(6) . .
N1 C22 C23 C24 -3.4(11) . .
C22 C23 C24 C25 1.1(11) . .
C23 C24 C25 C33 1.4(11) . .
C23 C24 C25 C26 -179.7(7) . .
C24 C25 C26 C27 -176.3(7) . .
C33 C25 C26 C27 2.5(11) . .
C25 C26 C27 C28 -0.1(11) . .
C26 C27 C28 C29 176.4(7) . .
C26 C27 C28 C32 -1.8(11) . .
C32 C28 C29 C30 -1.7(12) . .
C27 C28 C29 C30 -179.9(7) . .
C28 C29 C30 C31 0.2(12) . .
C29 C30 C31 N2 -0.2(12) . .
C29 C28 C32 N2 3.3(10) . .
C27 C28 C32 N2 -178.4(6) . .
C29 C28 C32 C33 -176.9(6) . .
C27 C28 C32 C33 1.3(10) . .
C24 C25 C33 N1 -2.0(10) . .
C26 C25 C33 N1 179.1(6) . .
C24 C25 C33 C32 175.9(6) . .
C26 C25 C33 C32 -3.0(9) . .
N2 C32 C33 N1 -1.2(9) . .
C28 C32 C33 N1 179.1(6) . .
N2 C32 C33 C25 -179.2(6) . .
C28 C32 C33 C25 1.1(9) . .
C23 C22 N1 C33 2.9(10) . .
C23 C22 N1 Pb1 -174.7(5) . .
C25 C33 N1 C22 -0.1(9) . .
C32 C33 N1 C22 -178.1(6) . .
C25 C33 N1 Pb1 177.5(4) . .
C32 C33 N1 Pb1 -0.4(7) . .
O5 Pb1 N1 C22 98.3(5) 2_755 .
O1 Pb1 N1 C22 164.5(5) 1 .
O1 Pb1 N1 C22 164.5(5) . .
N2 Pb1 N1 C22 178.6(6) . .
O4 Pb1 N1 C22 44.9(5) 2_755 .
O2 Pb1 N1 C22 63.4(7) . .
C1 Pb1 N1 C22 71.2(5) 2_755 .
O5 Pb1 N1 C33 -79.3(5) 2_755 .
O1 Pb1 N1 C33 -13.1(6) 1 .
O1 Pb1 N1 C33 -13.1(6) . .
N2 Pb1 N1 C33 1.1(4) . .
O4 Pb1 N1 C33 -132.7(5) 2_755 .
O2 Pb1 N1 C33 -114.1(5) . .
C1 Pb1 N1 C33 -106.3(5) 2_755 .
C30 C31 N2 C32 1.6(11) . .
C30 C31 N2 Pb1 176.3(6) . .
C28 C32 N2 C31 -3.2(9) . .
C33 C32 N2 C31 177.0(6) . .
C28 C32 N2 Pb1 -178.0(5) . .
C33 C32 N2 Pb1 2.3(7) . .
O5 Pb1 N2 C31 -93.9(5) 2_755 .
O1 Pb1 N2 C31 -6.0(5) 1 .
O1 Pb1 N2 C31 -6.0(5) . .
O4 Pb1 N2 C31 -122.1(5) 2_755 .
O2 Pb1 N2 C31 -20.9(6) . .
N1 Pb1 N2 C31 -176.2(6) . .
C1 Pb1 N2 C31 -108.4(5) 2_755 .
O5 Pb1 N2 C32 80.7(4) 2_755 .
O1 Pb1 N2 C32 168.5(5) 1 .
O1 Pb1 N2 C32 168.5(5) . .
O4 Pb1 N2 C32 52.4(5) 2_755 .
O2 Pb1 N2 C32 153.6(4) . .
N1 Pb1 N2 C32 -1.7(4) . .
C1 Pb1 N2 C32 66.1(5) 2_755 .
O2 C21 O1 O1 0.0(5) . 1
C18 C21 O1 O1 0.0(4) . 1
O2 C21 O1 Pb1 2.4(8) . .
O1 C21 O1 Pb1 0(100) 1 .
C18 C21 O1 Pb1 -176.8(5) . .
O5 Pb1 O1 O1 0.0(4) 2_755 1
N2 Pb1 O1 O1 0.0(4) . 1
O4 Pb1 O1 O1 0.0(4) 2_755 1
O2 Pb1 O1 O1 0.0(5) . 1
N1 Pb1 O1 O1 0.0(5) . 1
C1 Pb1 O1 O1 0.0(4) 2_755 1
O5 Pb1 O1 C21 -88.9(4) 2_755 .
O1 Pb1 O1 C21 0(9) 1 .
N2 Pb1 O1 C21 -165.3(5) . .
O4 Pb1 O1 C21 -48.8(5) 2_755 .
O2 Pb1 O1 C21 -1.2(4) . .
N1 Pb1 O1 C21 -152.4(4) . .
C1 Pb1 O1 C21 -70.9(4) 2_755 .
O1 C21 O2 Pb1 -2.2(7) 1 .
O1 C21 O2 Pb1 -2.2(7) . .
C18 C21 O2 Pb1 176.9(6) . .
O5 Pb1 O2 C21 88.4(4) 2_755 .
O1 Pb1 O2 C21 1.2(4) 1 .
O1 Pb1 O2 C21 1.2(4) . .
N2 Pb1 O2 C21 20.1(5) . .
O4 Pb1 O2 C21 140.6(5) 2_755 .
N1 Pb1 O2 C21 122.4(5) . .
C1 Pb1 O2 C21 114.8(5) 2_755 .
C16 C15 O3 C14 1.9(10) . .
C20 C15 O3 C14 -179.4(6) . .
C11 C14 O3 C15 -175.9(6) . .
O5 C1 O4 Pb1 -4.9(5) . 2_755
C2 C1 O4 Pb1 171.1(4) . 2_755
O4 C1 O5 Pb1 5.6(6) . 2_755
C2 C1 O5 Pb1 -170.6(4) . 2_755
