#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/75/4317537.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_4317537
loop_
_publ_author_name
'B. Cashin'
'D. Cunningham'
'P. Daly'
'P. McArdle'
'M. Munroe'
'N. Ní Chonchubhair'
_publ_section_title
;
 Donor Properties of the Vanadyl Ion: Reactions of Vanadyl Salicylaldimine
 β-Ketimine and Acetylacetonato Complexes with Groups 14 and 15 Lewis
 Acids
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              773
_journal_page_last               782
_journal_paper_doi               10.1021/ic010366s
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C50 H49 Cl2 N5 O11 Pb V2'
_chemical_formula_weight         1275.91
_chemical_name_common            PbPh2Cl2.VO(3-MeOsalen).VO(3-MeOsalen).H2O
_chemical_name_systematic
;
  {Diphenyllead 
dichloride.[N,N'-bis(3-methoxysalicylidene)ethane-1,2-diaminato]oxovan 
adium(IV)}(1/1).[N,N'-bis(3-methoxysalicylidene)ethane-1,2-diaminato]m 
onoaqua oxovanadium(IV)(1/1)
;
_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                71.559(11)
_cell_angle_beta                 82.276(8)
_cell_angle_gamma                66.166(10)
_cell_formula_units_Z            2
_cell_length_a                   12.0059(11)
_cell_length_b                   12.872(2)
_cell_length_c                   19.360(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     2596.1(6)
_computing_cell_refinement
'XDS (Wolfgan Kabsch, University of Heidelberg, 2000)'
_computing_data_collection       XDS
_computing_data_reduction        'XCAD (McArdle & Higgins, 1995)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Marr Research 180mm Image Plate'
_diffrn_measurement_method       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10071
_diffrn_reflns_theta_full        21.07
_diffrn_reflns_theta_max         21.07
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    3.753
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1268
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.526
_refine_diff_density_min         -0.603
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     645
_refine_ls_number_reflns         5154
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0231
_refine_ls_R_factor_gt           0.0214
_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)+(0.0000P)²+2.3899P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0503
_refine_ls_wR_factor_ref         0.0509
_reflns_number_gt                4925
_reflns_number_total             5154
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010366s_9.cif
_cod_data_source_block           PbPh2Cl2.VO(3-MeOsalen).VO(3-MeOsalen).H2O
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        2596.2(5)
_cod_database_code               4317537
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.753651(14) 0.629263(13) 0.687208(8) 0.02944(8) Uani 1 1 d . . .
V1 V 0.88741(6) 0.89778(6) 0.56452(4) 0.02658(18) Uani 1 1 d . . .
V2 V 0.91266(6) 0.59377(6) 0.87141(3) 0.02864(18) Uani 1 1 d . . .
Cl1 Cl 0.66467(11) 0.69010(11) 0.55957(6) 0.0494(3) Uani 1 1 d . . .
Cl2 Cl 0.65686(11) 0.47819(10) 0.75146(7) 0.0513(3) Uani 1 1 d . . .
O4 O 1.2635(3) 0.7445(3) 0.64428(17) 0.0515(9) Uani 1 1 d . . .
N1 N 0.7310(3) 1.0141(3) 0.50796(19) 0.0385(9) Uani 1 1 d . . .
O8 O 0.6875(3) 0.4960(3) 1.06390(18) 0.0604(10) Uani 1 1 d . . .
O9 O 1.1281(3) 0.2088(3) 0.95534(18) 0.0542(9) Uani 1 1 d . . .
O3 O 0.8642(4) 1.1021(3) 0.71669(18) 0.0677(11) Uani 1 1 d . . .
N2 N 0.9271(3) 0.8709(3) 0.46388(18) 0.0350(9) Uani 1 1 d . . .
N4 N 1.0393(4) 0.6415(3) 0.80187(18) 0.0378(9) Uani 1 1 d . . .
N3 N 0.8254(4) 0.7740(3) 0.84748(19) 0.0434(10) Uani 1 1 d . . .
N5 N 0.1814(10) 0.8416(8) -0.0672(6) 0.179(4) Uani 1 1 d . . .
O2 O 1.0591(2) 0.8494(2) 0.57352(14) 0.0335(7) Uani 1 1 d . . .
O7 O 1.0341(2) 0.4353(2) 0.90609(14) 0.0316(7) Uani 1 1 d . . .
O10 O 0.8420(3) 0.5786(3) 0.81239(15) 0.0396(7) Uani 1 1 d . . .
O1 O 0.8622(2) 1.0113(2) 0.61441(14) 0.0341(7) Uani 1 1 d . . .
O5 O 0.8504(2) 0.7913(2) 0.61653(15) 0.0357(7) Uani 1 1 d . . .
O11 O 1.0207(3) 0.6324(2) 0.94503(14) 0.0375(7) Uani 1 1 d . . .
O6 O 0.8122(2) 0.5780(2) 0.95814(14) 0.0334(7) Uani 1 1 d . . .
C1 C 0.7589(5) 1.0968(4) 0.6256(2) 0.0421(13) Uani 1 1 d . . .
C2 C 0.7561(6) 1.1474(4) 0.6805(3) 0.0558(15) Uani 1 1 d . . .
C3 C 0.6500(7) 1.2381(5) 0.6952(3) 0.077(2) Uani 1 1 d . . .
H3 H 0.6479 1.2693 0.7328 0.101 Uiso 1 1 calc R . .
C4 C 0.5492(7) 1.2796(5) 0.6524(4) 0.087(2) Uani 1 1 d . . .
H4 H 0.4789 1.3398 0.6618 0.113 Uiso 1 1 calc R . .
C5 C 0.5484(5) 1.2367(5) 0.5978(3) 0.0706(18) Uani 1 1 d . . .
H5 H 0.4791 1.2679 0.5695 0.092 Uiso 1 1 calc R . .
C6 C 0.6535(4) 1.1439(4) 0.5836(3) 0.0453(13) Uani 1 1 d . . .
C7 C 0.6490(4) 1.1038(4) 0.5245(3) 0.0457(13) Uani 1 1 d . . .
H7 H 0.5805 1.1463 0.4951 0.059 Uiso 1 1 calc R . .
C8 C 0.7152(5) 0.9823(5) 0.4443(3) 0.0548(14) Uani 1 1 d . . .
H8A H 0.6551 1.0494 0.4116 0.071 Uiso 1 1 calc R . .
H8B H 0.6881 0.9169 0.4596 0.071 Uiso 1 1 calc R . .
C9 C 0.8353(4) 0.9477(4) 0.4075(2) 0.0501(13) Uani 1 1 d . . .
H9A H 0.8364 0.9056 0.3736 0.065 Uiso 1 1 calc R . .
H9B H 0.8519 1.0176 0.3806 0.065 Uiso 1 1 calc R . .
C10 C 1.0253(5) 0.7920(4) 0.4483(2) 0.0411(12) Uani 1 1 d . . .
H10 H 1.0292 0.7777 0.4037 0.053 Uiso 1 1 calc R . .
C11 C 1.1298(4) 0.7241(4) 0.4947(2) 0.0360(11) Uani 1 1 d . . .
C12 C 1.2249(5) 0.6276(4) 0.4763(3) 0.0527(14) Uani 1 1 d . . .
H12 H 1.2162 0.6038 0.4373 0.068 Uiso 1 1 calc R . .
C13 C 1.3292(5) 0.5696(5) 0.5159(4) 0.0646(17) Uani 1 1 d . . .
H13 H 1.3907 0.5048 0.5045 0.084 Uiso 1 1 calc R . .
C14 C 1.3451(4) 0.6055(5) 0.5726(3) 0.0574(15) Uani 1 1 d . . .
H14 H 1.4174 0.5653 0.5986 0.075 Uiso 1 1 calc R . .
C15 C 1.2549(4) 0.7000(4) 0.5909(3) 0.0394(12) Uani 1 1 d . . .
C16 C 1.1433(4) 0.7592(4) 0.5532(2) 0.0321(11) Uani 1 1 d . . .
C17 C 0.8677(8) 1.1379(7) 0.7787(4) 0.116(3) Uani 1 1 d . . .
H17A H 0.8460 1.2221 0.7645 0.162 Uiso 1 1 calc R . .
H17B H 0.9484 1.0982 0.7985 0.162 Uiso 1 1 calc R . .
H17C H 0.8112 1.1174 0.8149 0.162 Uiso 1 1 calc R . .
C18 C 1.3780(4) 0.6968(5) 0.6789(3) 0.0747(19) Uani 1 1 d . . .
H18A H 1.3975 0.6146 0.7049 0.105 Uiso 1 1 calc R . .
H18B H 1.3740 0.7395 0.7124 0.105 Uiso 1 1 calc R . .
H18C H 1.4398 0.7041 0.6429 0.105 Uiso 1 1 calc R . .
C19 C 0.7109(4) 0.6578(4) 0.9753(2) 0.0384(12) Uani 1 1 d . . .
C20 C 0.6398(4) 0.6156(5) 1.0336(3) 0.0483(13) Uani 1 1 d . . .
C21 C 0.5337(5) 0.6921(6) 1.0554(3) 0.0725(17) Uani 1 1 d . . .
H21 H 0.4874 0.6630 1.0930 0.094 Uiso 1 1 calc R . .
C22 C 0.4961(5) 0.8113(7) 1.0217(4) 0.083(2) Uani 1 1 d . . .
H22 H 0.4249 0.8626 1.0378 0.108 Uiso 1 1 calc R . .
C23 C 0.5596(5) 0.8572(5) 0.9656(3) 0.0673(17) Uani 1 1 d . . .
H23 H 0.5316 0.9386 0.9433 0.088 Uiso 1 1 calc R . .
C24 C 0.6692(4) 0.7795(4) 0.9412(3) 0.0441(12) Uani 1 1 d . . .
C25 C 0.7310(5) 0.8302(4) 0.8801(3) 0.0513(14) Uani 1 1 d . . .
H25 H 0.6993 0.9125 0.8622 0.067 Uiso 1 1 calc R . .
C26 C 0.8730(6) 0.8353(5) 0.7802(3) 0.0694(17) Uani 1 1 d . . .
H26A H 0.8542 0.9162 0.7797 0.090 Uiso 1 1 calc R . .
H26B H 0.8349 0.8376 0.7384 0.090 Uiso 1 1 calc R . .
C27 C 1.0066(5) 0.7718(4) 0.7762(3) 0.0587(15) Uani 1 1 d . . .
H27A H 1.0466 0.7941 0.8061 0.076 Uiso 1 1 calc R . .
H27B H 1.0343 0.7942 0.7263 0.076 Uiso 1 1 calc R . .
C28 C 1.1366(5) 0.5697(5) 0.7819(2) 0.0505(14) Uani 1 1 d . . .
H28 H 1.1818 0.6021 0.7452 0.066 Uiso 1 1 calc R . .
C29 C 1.1838(4) 0.4428(5) 0.8104(3) 0.0455(13) Uani 1 1 d . . .
C30 C 1.2900(5) 0.3760(6) 0.7789(3) 0.0713(17) Uani 1 1 d . . .
H30 H 1.3261 0.4149 0.7395 0.093 Uiso 1 1 calc R . .
C31 C 1.3410(5) 0.2557(6) 0.8048(4) 0.0767(18) Uani 1 1 d . . .
H31 H 1.4108 0.2134 0.7827 0.100 Uiso 1 1 calc R . .
C32 C 1.2902(5) 0.1960(5) 0.8636(3) 0.0621(15) Uani 1 1 d . . .
H32 H 1.3257 0.1137 0.8810 0.081 Uiso 1 1 calc R . .
C33 C 1.1865(4) 0.2583(4) 0.8967(3) 0.0453(13) Uani 1 1 d . . .
C34 C 1.1310(4) 0.3827(4) 0.8709(2) 0.0336(11) Uani 1 1 d . . .
C35 C 0.6155(6) 0.4447(6) 1.1164(4) 0.098(2) Uani 1 1 d . . .
H35A H 0.5908 0.4836 1.1540 0.138 Uiso 1 1 calc R . .
H35B H 0.6624 0.3618 1.1373 0.138 Uiso 1 1 calc R . .
H35C H 0.5447 0.4540 1.0934 0.138 Uiso 1 1 calc R . .
C36 C 1.1682(6) 0.0838(5) 0.9810(4) 0.095(2) Uani 1 1 d . . .
H36A H 1.1677 0.0534 0.9418 0.132 Uiso 1 1 calc R . .
H36B H 1.1146 0.0623 1.0192 0.132 Uiso 1 1 calc R . .
H36C H 1.2493 0.0508 0.9996 0.132 Uiso 1 1 calc R . .
C37 C 0.9283(4) 0.4995(4) 0.6672(2) 0.0336(11) Uani 1 1 d . . .
C38 C 0.9857(4) 0.5205(4) 0.6011(3) 0.0524(14) Uani 1 1 d . . .
H38 H 0.9518 0.5920 0.5651 0.068 Uiso 1 1 calc R . .
C39 C 1.0943(5) 0.4344(5) 0.5886(3) 0.0642(16) Uani 1 1 d . . .
H39 H 1.1344 0.4480 0.5441 0.083 Uiso 1 1 calc R . .
C40 C 1.1431(5) 0.3293(5) 0.6414(4) 0.0637(16) Uani 1 1 d . . .
H40 H 1.2164 0.2715 0.6329 0.083 Uiso 1 1 calc R . .
C41 C 1.0840(5) 0.3088(5) 0.7073(3) 0.0622(15) Uani 1 1 d . . .
H41 H 1.1175 0.2371 0.7431 0.081 Uiso 1 1 calc R . .
C42 C 0.9762(4) 0.3936(4) 0.7204(3) 0.0464(13) Uani 1 1 d . . .
H42 H 0.9359 0.3796 0.7648 0.060 Uiso 1 1 calc R . .
C43 C 0.6126(4) 0.7726(4) 0.7231(2) 0.0311(11) Uani 1 1 d . . .
C44 C 0.5592(4) 0.7458(4) 0.7898(2) 0.0418(12) Uani 1 1 d . . .
H44 H 0.5874 0.6685 0.8205 0.054 Uiso 1 1 calc R . .
C45 C 0.4640(5) 0.8337(5) 0.8109(3) 0.0566(14) Uani 1 1 d . . .
H45 H 0.4268 0.8158 0.8560 0.074 Uiso 1 1 calc R . .
C46 C 0.4232(5) 0.9476(6) 0.7660(4) 0.0647(16) Uani 1 1 d . . .
H46 H 0.3581 1.0068 0.7805 0.084 Uiso 1 1 calc R . .
C47 C 0.4785(5) 0.9744(5) 0.6999(3) 0.0622(15) Uani 1 1 d . . .
H47 H 0.4517 1.0522 0.6701 0.081 Uiso 1 1 calc R . .
C48 C 0.5731(4) 0.8874(4) 0.6771(3) 0.0459(13) Uani 1 1 d . . .
H48 H 0.6096 0.9052 0.6318 0.060 Uiso 1 1 calc R . .
C49 C 0.1957(7) 0.6823(8) 0.0549(5) 0.116(3) Uani 1 1 d . . .
H49A H 0.1167 0.6802 0.0693 0.162 Uiso 1 1 calc R . .
H49B H 0.2264 0.6988 0.0918 0.162 Uiso 1 1 calc R . .
H49C H 0.2502 0.6068 0.0489 0.162 Uiso 1 1 calc R . .
C50 C 0.1865(9) 0.7724(10) -0.0120(7) 0.124(3) 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'
Cl Cl 0.1484 0.1585 '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'
V V 0.3005 0.5294 '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
_geom_angle_publ_flag
C37 Pb1 C43 163.01(15) . . ?
C37 Pb1 O10 84.50(13) . . ?
C43 Pb1 O10 82.35(12) . . ?
C37 Pb1 Cl2 95.58(12) . . ?
C43 Pb1 Cl2 93.95(11) . . ?
O10 Pb1 Cl2 85.00(7) . . ?
C37 Pb1 Cl1 96.53(12) . . ?
C43 Pb1 Cl1 96.17(11) . . ?
O10 Pb1 Cl1 177.32(7) . . ?
Cl2 Pb1 Cl1 97.35(4) . . ?
C37 Pb1 O5 85.26(13) . . ?
C43 Pb1 O5 85.60(12) . . ?
O10 Pb1 O5 96.56(9) . . ?
Cl2 Pb1 O5 178.30(6) . . ?
Cl1 Pb1 O5 81.08(7) . . ?
O5 V1 O1 109.91(13) . . ?
O5 V1 O2 107.45(13) . . ?
O1 V1 O2 88.76(12) . . ?
O5 V1 N2 107.44(14) . . ?
O1 V1 N2 142.16(13) . . ?
O2 V1 N2 85.80(13) . . ?
O5 V1 N1 103.76(14) . . ?
O1 V1 N1 87.67(14) . . ?
O2 V1 N1 147.88(13) . . ?
N2 V1 N1 77.77(15) . . ?
O10 V2 O7 101.59(14) . . ?
O10 V2 O6 103.47(14) . . ?
O7 V2 O6 93.81(11) . . ?
O10 V2 N3 95.98(15) . . ?
O7 V2 N3 161.02(14) . . ?
O6 V2 N3 88.99(14) . . ?
O10 V2 N4 97.33(14) . . ?
O7 V2 N4 89.42(14) . . ?
O6 V2 N4 157.83(14) . . ?
N3 V2 N4 81.21(16) . . ?
O10 V2 O11 173.02(13) . . ?
O7 V2 O11 81.86(11) . . ?
O6 V2 O11 82.22(11) . . ?
N3 V2 O11 79.93(13) . . ?
N4 V2 O11 76.53(12) . . ?
C15 O4 C18 117.6(4) . . ?
C7 N1 C8 120.1(4) . . ?
C7 N1 V1 126.7(3) . . ?
C8 N1 V1 113.1(3) . . ?
C20 O8 C35 117.6(4) . . ?
C33 O9 C36 118.8(4) . . ?
C2 O3 C17 119.1(5) . . ?
C10 N2 C9 119.4(4) . . ?
C10 N2 V1 124.1(3) . . ?
C9 N2 V1 116.4(3) . . ?
C28 N4 C27 122.0(4) . . ?
C28 N4 V2 124.8(3) . . ?
C27 N4 V2 113.1(3) . . ?
C25 N3 C26 121.7(4) . . ?
C25 N3 V2 126.1(3) . . ?
C26 N3 V2 111.7(3) . . ?
C16 O2 V1 124.7(3) . . ?
C34 O7 V2 127.1(3) . . ?
V2 O10 Pb1 155.49(16) . . ?
C1 O1 V1 129.0(3) . . ?
V1 O5 Pb1 169.55(16) . . ?
C19 O6 V2 129.0(3) . . ?
O1 C1 C2 118.3(5) . . ?
O1 C1 C6 124.1(4) . . ?
C2 C1 C6 117.5(5) . . ?
O3 C2 C1 114.6(5) . . ?
O3 C2 C3 124.2(6) . . ?
C1 C2 C3 121.3(6) . . ?
C4 C3 C2 118.4(6) . . ?
C5 C4 C3 122.7(6) . . ?
C4 C5 C6 119.4(6) . . ?
C1 C6 C7 122.0(4) . . ?
C1 C6 C5 120.8(5) . . ?
C7 C6 C5 117.2(5) . . ?
N1 C7 C6 125.6(4) . . ?
N1 C8 C9 106.8(4) . . ?
N2 C9 C8 107.5(4) . . ?
N2 C10 C11 124.8(4) . . ?
C16 C11 C12 119.9(4) . . ?
C16 C11 C10 120.7(4) . . ?
C12 C11 C10 119.1(4) . . ?
C13 C12 C11 119.6(5) . . ?
C12 C13 C14 121.1(5) . . ?
C15 C14 C13 120.5(5) . . ?
O4 C15 C14 124.9(5) . . ?
O4 C15 C16 115.0(4) . . ?
C14 C15 C16 120.1(5) . . ?
O2 C16 C11 123.6(4) . . ?
O2 C16 C15 117.6(4) . . ?
C11 C16 C15 118.7(4) . . ?
O6 C19 C24 125.1(4) . . ?
O6 C19 C20 117.0(4) . . ?
C24 C19 C20 117.9(4) . . ?
O8 C20 C21 125.0(5) . . ?
O8 C20 C19 113.9(4) . . ?
C21 C20 C19 121.1(5) . . ?
C22 C21 C20 119.7(6) . . ?
C23 C22 C21 122.1(5) . . ?
C22 C23 C24 119.3(5) . . ?
C19 C24 C23 119.9(5) . . ?
C19 C24 C25 122.2(4) . . ?
C23 C24 C25 117.9(5) . . ?
N3 C25 C24 126.8(4) . . ?
N3 C26 C27 109.5(4) . . ?
C26 C27 N4 110.3(4) . . ?
N4 C28 C29 126.1(4) . . ?
C30 C29 C34 118.7(5) . . ?
C30 C29 C28 118.5(5) . . ?
C34 C29 C28 122.7(4) . . ?
C31 C30 C29 121.3(5) . . ?
C30 C31 C32 120.6(5) . . ?
C31 C32 C33 120.0(5) . . ?
O9 C33 C32 125.2(5) . . ?
O9 C33 C34 113.9(4) . . ?
C32 C33 C34 120.9(5) . . ?
O7 C34 C33 117.0(4) . . ?
O7 C34 C29 124.4(4) . . ?
C33 C34 C29 118.6(4) . . ?
C38 C37 C42 121.1(4) . . ?
C38 C37 Pb1 120.3(3) . . ?
C42 C37 Pb1 118.5(3) . . ?
C37 C38 C39 119.2(5) . . ?
C40 C39 C38 120.1(5) . . ?
C39 C40 C41 120.1(5) . . ?
C42 C41 C40 120.4(5) . . ?
C41 C42 C37 119.1(5) . . ?
C44 C43 C48 121.1(4) . . ?
C44 C43 Pb1 118.7(3) . . ?
C48 C43 Pb1 120.1(3) . . ?
C43 C44 C45 119.4(5) . . ?
C46 C45 C44 120.4(5) . . ?
C47 C46 C45 120.0(5) . . ?
C46 C47 C48 120.7(5) . . ?
C47 C48 C43 118.4(4) . . ?
N5 C50 C49 177.4(11) . . ?
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 C37 2.168(4) . ?
Pb1 C43 2.173(4) . ?
Pb1 O10 2.561(3) . ?
Pb1 Cl2 2.5665(12) . ?
Pb1 Cl1 2.5825(11) . ?
Pb1 O5 2.701(3) . ?
V1 O5 1.609(3) . ?
V1 O1 1.902(3) . ?
V1 O2 1.913(3) . ?
V1 N2 2.046(3) . ?
V1 N1 2.052(3) . ?
V2 O10 1.612(3) . ?
V2 O7 1.932(3) . ?
V2 O6 1.938(3) . ?
V2 N3 2.045(4) . ?
V2 N4 2.046(4) . ?
V2 O11 2.330(3) . ?
O4 C15 1.363(6) . ?
O4 C18 1.422(5) . ?
N1 C7 1.279(6) . ?
N1 C8 1.472(6) . ?
O8 C20 1.360(6) . ?
O8 C35 1.420(6) . ?
O9 C33 1.370(6) . ?
O9 C36 1.415(6) . ?
O3 C2 1.375(6) . ?
O3 C17 1.427(6) . ?
N2 C10 1.282(5) . ?
N2 C9 1.464(5) . ?
N4 C28 1.266(6) . ?
N4 C27 1.486(6) . ?
N3 C25 1.282(6) . ?
N3 C26 1.469(6) . ?
N5 C50 1.145(12) . ?
O2 C16 1.326(5) . ?
O7 C34 1.311(5) . ?
O1 C1 1.331(5) . ?
O6 C19 1.320(5) . ?
C1 C2 1.401(7) . ?
C1 C6 1.406(7) . ?
C2 C3 1.406(8) . ?
C3 C4 1.379(9) . ?
C4 C5 1.342(9) . ?
C5 C6 1.412(7) . ?
C6 C7 1.410(7) . ?
C8 C9 1.480(7) . ?
C10 C11 1.437(6) . ?
C11 C16 1.396(6) . ?
C11 C12 1.413(6) . ?
C12 C13 1.362(7) . ?
C13 C14 1.379(8) . ?
C14 C15 1.373(7) . ?
C15 C16 1.412(6) . ?
C19 C24 1.393(6) . ?
C19 C20 1.423(6) . ?
C20 C21 1.369(7) . ?
C21 C22 1.368(8) . ?
C22 C23 1.359(8) . ?
C23 C24 1.423(7) . ?
C24 C25 1.428(7) . ?
C26 C27 1.480(7) . ?
C28 C29 1.435(7) . ?
C29 C30 1.405(7) . ?
C29 C34 1.412(6) . ?
C30 C31 1.360(8) . ?
C31 C32 1.378(8) . ?
C32 C33 1.381(7) . ?
C33 C34 1.406(6) . ?
C37 C38 1.371(6) . ?
C37 C42 1.374(6) . ?
C38 C39 1.380(7) . ?
C39 C40 1.366(8) . ?
C40 C41 1.377(7) . ?
C41 C42 1.370(7) . ?
C43 C44 1.368(6) . ?
C43 C48 1.384(6) . ?
C44 C45 1.370(7) . ?
C45 C46 1.369(7) . ?
C46 C47 1.369(7) . ?
C47 C48 1.374(6) . ?
C49 C50 1.421(12) . ?
