#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:26:03 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179721 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/23/7002303.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_7002303
loop_
_publ_author_name
'Chai, Zuo-Yun'
'Wang, Zhong-Xia'
_publ_section_title
;
 Synthesis and characterization of Sn(II), Pb(II) and Yb(II) complexes
 supported by [C(Ph2PNSiMe3){6-(2-RC5H3N)}]2− or
 [CH(Ph2PNSiMe3){6-(2-RC5H3N)}]− (R =
 3,5-dimethyl-1-pyrazolyl or iminophosphoranyl) ligands
;
_journal_issue                   38
_journal_name_full               'Dalton Transactions'
_journal_page_first              8005
_journal_page_last               8012
_journal_paper_doi               10.1039/b906266a
_journal_year                    2009
_chemical_formula_sum            'C59 H66 N8 P2 Pb2 Si2'
_chemical_formula_weight         1419.70
_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                98.5150(10)
_cell_angle_beta                 107.2790(10)
_cell_angle_gamma                98.784(2)
_cell_formula_units_Z            1
_cell_length_a                   9.9080(9)
_cell_length_b                   12.6483(12)
_cell_length_c                   12.8690(12)
_cell_measurement_reflns_used    5289
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.61
_cell_volume                     1489.6(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8465
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.66
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.781
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.771502
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             698
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.783
_refine_diff_density_min         -0.470
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         5991
_refine_ls_number_restraints     86
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0333
_refine_ls_R_factor_gt           0.0245
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0310P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0552
_refine_ls_wR_factor_ref         0.0590
_reflns_number_gt                5201
_reflns_number_total             5991
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906266a.txt
_cod_data_source_block           4
_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 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to
'constr' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7002303
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 -0.175230(9) 0.523888(7) -0.043005(7) 0.04278(3) Uani 1 1 d . . .
P1 P 0.06655(6) 0.58057(5) 0.21825(5) 0.03903(15) Uani 1 1 d . . .
Si1 Si 0.14562(8) 0.37076(6) 0.28848(6) 0.04676(18) Uani 1 1 d . . .
C1 C -0.0974(3) 0.5862(2) 0.25335(19) 0.0456(6) Uani 1 1 d . . .
N1 N 0.0933(2) 0.45827(15) 0.20081(15) 0.0410(5) Uani 1 1 d . . .
N2 N 0.1919(2) 0.74136(16) 0.01707(16) 0.0448(5) Uani 1 1 d . . .
N3 N 0.3275(2) 0.85374(19) -0.06024(18) 0.0583(7) Uani 1 1 d . . .
N4 N 0.3180(3) 0.9316(2) -0.1251(2) 0.0697(8) Uani 1 1 d . . .
C2 C -0.1215(3) 0.6838(2) 0.3034(2) 0.0580(7) Uani 1 1 d . . .
H2 H -0.0494 0.7468 0.3247 0.070 Uiso 1 1 calc R . .
C3 C -0.2502(3) 0.6882(3) 0.3214(3) 0.0771(9) Uani 1 1 d . . .
H3 H -0.2645 0.7535 0.3559 0.092 Uiso 1 1 calc R . .
C4 C -0.3586(3) 0.5955(3) 0.2884(3) 0.0832(11) Uani 1 1 d . . .
H4 H -0.4466 0.5991 0.2993 0.100 Uiso 1 1 calc R . .
C5 C -0.3373(3) 0.4984(3) 0.2397(3) 0.0764(10) Uani 1 1 d . . .
H5 H -0.4098 0.4357 0.2190 0.092 Uiso 1 1 calc R . .
C6 C -0.2062(3) 0.4940(2) 0.2213(2) 0.0571(8) Uani 1 1 d . . .
H6 H -0.1921 0.4283 0.1872 0.068 Uiso 1 1 calc R . .
C7 C 0.2092(3) 0.6724(2) 0.33522(19) 0.0439(6) Uani 1 1 d . . .
C8 C 0.2095(3) 0.6746(2) 0.4435(2) 0.0581(8) Uani 1 1 d . . .
H8 H 0.1299 0.6364 0.4561 0.070 Uiso 1 1 calc R . .
C9 C 0.3266(3) 0.7330(3) 0.5326(2) 0.0717(10) Uani 1 1 d . . .
H9 H 0.3260 0.7327 0.6047 0.086 Uiso 1 1 calc R . .
C10 C 0.4440(3) 0.7915(3) 0.5156(3) 0.0726(10) Uani 1 1 d . . .
H10 H 0.5225 0.8312 0.5759 0.087 Uiso 1 1 calc R . .
C11 C 0.4449(3) 0.7910(3) 0.4090(3) 0.0682(9) Uani 1 1 d . . .
H11 H 0.5240 0.8309 0.3972 0.082 Uiso 1 1 calc R . .
C12 C 0.3281(3) 0.7314(2) 0.3188(2) 0.0534(7) Uani 1 1 d . . .
H12 H 0.3300 0.7311 0.2470 0.064 Uiso 1 1 calc R . .
C13 C 0.0604(2) 0.61552(19) 0.09126(18) 0.0412(6) Uani 1 1 d . . .
C14 C 0.0977(3) 0.72615(19) 0.07443(19) 0.0422(6) Uani 1 1 d . . .
C15 C 0.0399(3) 0.8127(2) 0.1110(2) 0.0530(7) Uani 1 1 d . . .
H15 H -0.0258 0.8015 0.1490 0.064 Uiso 1 1 calc R . .
C16 C 0.0798(3) 0.9150(2) 0.0907(2) 0.0616(8) Uani 1 1 d . . .
H16 H 0.0414 0.9728 0.1151 0.074 Uiso 1 1 calc R . .
C17 C 0.1767(3) 0.9311(2) 0.0343(2) 0.0609(8) Uani 1 1 d . . .
H17 H 0.2064 0.9995 0.0205 0.073 Uiso 1 1 calc R . .
C18 C 0.2282(3) 0.8416(2) -0.0010(2) 0.0495(7) Uani 1 1 d . . .
C19 C 0.4884(3) 0.7263(3) 0.0117(3) 0.0800(11) Uani 1 1 d . . .
H19A H 0.4886 0.7528 0.0856 0.120 Uiso 1 1 calc R . .
H19B H 0.5841 0.7186 0.0139 0.120 Uiso 1 1 calc R . .
H19C H 0.4232 0.6565 -0.0185 0.120 Uiso 1 1 calc R . .
C20 C 0.4412(3) 0.8042(2) -0.0589(2) 0.0612(8) Uani 1 1 d . . .
C21 C 0.5023(4) 0.8503(3) -0.1278(3) 0.0793(10) Uani 1 1 d . . .
H21 H 0.5813 0.8331 -0.1463 0.095 Uiso 1 1 calc R . .
C22 C 0.4253(4) 0.9274(3) -0.1653(3) 0.0767(10) Uani 1 1 d . . .
C23 C 0.4530(4) 1.0055(3) -0.2383(3) 0.0997(14) Uani 1 1 d . . .
H23A H 0.4453 0.9647 -0.3097 0.150 Uiso 1 1 calc R . .
H23B H 0.5483 1.0502 -0.2042 0.150 Uiso 1 1 calc R . .
H23C H 0.3830 1.0511 -0.2473 0.150 Uiso 1 1 calc R . .
C24 C 0.3300(4) 0.4241(3) 0.3878(3) 0.1038(15) Uani 1 1 d . . .
H24A H 0.3951 0.4429 0.3479 0.156 Uiso 1 1 calc R . .
H24B H 0.3602 0.3691 0.4282 0.156 Uiso 1 1 calc R . .
H24C H 0.3305 0.4878 0.4388 0.156 Uiso 1 1 calc R . .
C25 C 0.0220(4) 0.3442(3) 0.3686(3) 0.1086(11) Uani 1 1 d . . .
H25A H 0.0132 0.4123 0.4074 0.163 Uiso 1 1 calc R . .
H25B H 0.0598 0.3008 0.4212 0.163 Uiso 1 1 calc R . .
H25C H -0.0713 0.3055 0.3188 0.163 Uiso 1 1 calc R . .
C26 C 0.1485(4) 0.2420(2) 0.2018(3) 0.0841(11) Uani 1 1 d . . .
H26A H 0.0524 0.2089 0.1530 0.126 Uiso 1 1 calc R . .
H26B H 0.1841 0.1931 0.2487 0.126 Uiso 1 1 calc R . .
H26C H 0.2105 0.2568 0.1586 0.126 Uiso 1 1 calc R . .
C27 C 0.0778(5) 0.9596(4) 0.5520(4) 0.094(3) Uani 0.50 1 d PGDU . 1
H27A H 0.1078 0.9283 0.6165 0.113 Uiso 0.50 1 d PR . 1
C28 C 0.1610(6) 0.9624(5) 0.4821(5) 0.134(3) Uani 0.50 1 d PGU . 1
H28A H 0.2483 0.9347 0.4995 0.161 Uiso 0.50 1 d PR . 1
C29 C 0.1180(8) 1.0054(6) 0.3870(5) 0.129(3) Uani 0.50 1 d PGU . 1
H29A H 0.1755 1.0073 0.3387 0.155 Uiso 0.50 1 d PR . 1
C30 C -0.0084(8) 1.0456(6) 0.3618(5) 0.126(3) Uani 0.50 1 d PGU . 1
H30A H -0.0381 1.0752 0.2961 0.152 Uiso 0.50 1 d PR . 1
C31 C -0.0917(7) 1.0428(6) 0.4317(5) 0.162(5) Uani 0.50 1 d PGDU . 1
H31A H -0.1789 1.0705 0.4143 0.194 Uiso 0.50 1 d PR . 1
C32 C -0.0486(6) 0.9998(5) 0.5267(4) 0.109(3) Uani 0.50 1 d PGU . 1
C33 C -0.1466(8) 0.9936(10) 0.6005(7) 0.188(5) Uani 0.50 1 d PDU . 1
H33A H -0.2280 1.0261 0.5721 0.282 Uiso 0.50 1 d PR . 1
H33B H -0.1802 0.9188 0.6022 0.282 Uiso 0.50 1 d PR . 1
H33C H -0.0907 1.0329 0.6744 0.282 Uiso 0.50 1 d PR . 1
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
_geom_angle_publ_flag
C13 Pb1 N1 66.25(8) 2_565 2_565 ?
C13 Pb1 C13 86.28(8) 2_565 . ?
N1 Pb1 C13 92.85(7) 2_565 . ?
C13 Pb1 P1 35.45(6) 2_565 2_565 ?
N1 Pb1 P1 32.26(5) 2_565 2_565 ?
C13 Pb1 P1 97.04(6) . 2_565 ?
C13 Pb1 Pb1 44.23(5) 2_565 2_565 ?
N1 Pb1 Pb1 76.37(4) 2_565 2_565 ?
C13 Pb1 Pb1 42.05(6) . 2_565 ?
P1 Pb1 Pb1 62.546(12) 2_565 2_565 ?
N1 P1 C13 102.42(11) . . ?
N1 P1 C1 111.47(11) . . ?
C13 P1 C1 114.03(11) . . ?
N1 P1 C7 112.38(11) . . ?
C13 P1 C7 112.61(11) . . ?
C1 P1 C7 104.23(11) . . ?
N1 P1 Pb1 53.90(7) . 2_565 ?
C13 P1 Pb1 51.35(8) . 2_565 ?
C1 P1 Pb1 142.43(8) . 2_565 ?
C7 P1 Pb1 113.34(9) . 2_565 ?
N1 Si1 C26 107.32(12) . . ?
N1 Si1 C25 112.14(14) . . ?
C26 Si1 C25 109.99(17) . . ?
N1 Si1 C24 111.91(15) . . ?
C26 Si1 C24 107.21(18) . . ?
C25 Si1 C24 108.15(19) . . ?
C6 C1 C2 118.7(2) . . ?
C6 C1 P1 119.4(2) . . ?
C2 C1 P1 121.64(19) . . ?
P1 N1 Si1 134.38(12) . . ?
P1 N1 Pb1 93.84(9) . 2_565 ?
Si1 N1 Pb1 123.90(10) . 2_565 ?
C18 N2 C14 117.8(2) . . ?
C20 N3 N4 112.3(3) . . ?
C20 N3 C18 130.0(2) . . ?
N4 N3 C18 117.5(2) . . ?
C22 N4 N3 103.9(3) . . ?
C3 C2 C1 120.8(3) . . ?
C2 C3 C4 119.9(3) . . ?
C5 C4 C3 120.4(3) . . ?
C4 C5 C6 119.6(3) . . ?
C1 C6 C5 120.5(3) . . ?
C12 C7 C8 118.4(2) . . ?
C12 C7 P1 120.35(19) . . ?
C8 C7 P1 120.8(2) . . ?
C9 C8 C7 120.7(3) . . ?
C10 C9 C8 120.5(3) . . ?
C9 C10 C11 119.5(3) . . ?
C10 C11 C12 120.4(3) . . ?
C7 C12 C11 120.5(3) . . ?
C14 C13 P1 125.32(17) . . ?
C14 C13 Pb1 122.65(17) . 2_565 ?
P1 C13 Pb1 93.20(10) . 2_565 ?
C14 C13 Pb1 109.48(15) . . ?
P1 C13 Pb1 107.36(11) . . ?
Pb1 C13 Pb1 93.72(8) 2_565 . ?
N2 C14 C15 120.4(2) . . ?
N2 C14 C13 115.9(2) . . ?
C15 C14 C13 123.7(2) . . ?
C16 C15 C14 120.1(3) . . ?
C17 C16 C15 119.7(3) . . ?
C16 C17 C18 117.3(3) . . ?
N2 C18 C17 124.7(3) . . ?
N2 C18 N3 115.8(2) . . ?
C17 C18 N3 119.4(2) . . ?
C21 C20 N3 104.6(3) . . ?
C21 C20 C19 130.2(3) . . ?
N3 C20 C19 125.0(3) . . ?
C20 C21 C22 107.6(3) . . ?
N4 C22 C21 111.6(3) . . ?
N4 C22 C23 119.3(4) . . ?
C21 C22 C23 129.0(4) . . ?
C31 C27 C32 156(3) 2_576 2_576 ?
C31 C27 C28 108(3) 2_576 . ?
C32 C27 C28 57.9(5) 2_576 . ?
C31 C27 C32 130(3) 2_576 . ?
C32 C27 C32 62.2(5) 2_576 . ?
C28 C27 C32 120.0 . . ?
C31 C27 C30 64(3) 2_576 2_576 ?
C32 C27 C30 129.8(8) 2_576 2_576 ?
C28 C27 C30 171.7(5) . 2_576 ?
C32 C27 C30 68.0(5) . 2_576 ?
C33 C28 C32 76.1(6) 2_576 2_576 ?
C33 C28 C29 10.6(5) 2_576 . ?
C32 C28 C29 67.4(4) 2_576 . ?
C33 C28 C27 128.8(6) 2_576 . ?
C32 C28 C27 52.7(4) 2_576 . ?
C29 C28 C27 120.0 . . ?
C33 C28 C31 136.3(8) 2_576 2_576 ?
C32 C28 C31 60.6(4) 2_576 2_576 ?
C29 C28 C31 127.9(4) . 2_576 ?
C27 C28 C31 8.3(4) . 2_576 ?
C33 C29 C28 55(2) 2_576 . ?
C33 C29 C30 153(3) 2_576 . ?
C28 C29 C30 120.0 . . ?
C33 C29 C32 100(2) 2_576 2_576 ?
C28 C29 C32 52.1(4) . 2_576 ?
C30 C29 C32 68.0(4) . 2_576 ?
C31 C30 C29 120.0 . . ?
C31 C30 C27 8.3(4) . 2_576 ?
C29 C30 C27 112.0(4) . 2_576 ?
C31 C30 C32 61.6(4) . 2_576 ?
C29 C30 C32 58.5(4) . 2_576 ?
C27 C30 C32 53.5(3) 2_576 2_576 ?
C31 C30 C33 118.5(4) . 2_576 ?
C29 C30 C33 4.4(5) . 2_576 ?
C27 C30 C33 110.4(6) 2_576 2_576 ?
C32 C30 C33 57.0(4) 2_576 2_576 ?
C27 C31 C30 108(3) 2_576 . ?
C27 C31 C32 20(3) 2_576 . ?
C30 C31 C32 120.0 . . ?
C27 C31 C28 64(3) 2_576 2_576 ?
C30 C31 C28 171.7(5) . 2_576 ?
C32 C31 C28 52.1(5) . 2_576 ?
C27 C31 C32 44(2) 2_576 2_576 ?
C30 C31 C32 66.0(4) . 2_576 ?
C32 C31 C32 54.1(4) . 2_576 ?
C28 C31 C32 105.9(6) 2_576 2_576 ?
C27 C32 C28 69.3(7) 2_576 2_576 ?
C27 C32 C32 66.6(5) 2_576 2_576 ?
C28 C32 C32 135.8(9) 2_576 2_576 ?
C27 C32 C31 3.8(5) 2_576 . ?
C28 C32 C31 67.4(7) 2_576 . ?
C32 C32 C31 68.8(4) 2_576 . ?
C27 C32 C27 117.8(5) 2_576 . ?
C28 C32 C27 172.1(7) 2_576 . ?
C32 C32 C27 51.3(4) 2_576 . ?
C31 C32 C27 120.0 . . ?
C27 C32 C29 129.8(9) 2_576 2_576 ?
C28 C32 C29 60.6(4) 2_576 2_576 ?
C32 C32 C29 162.5(8) 2_576 2_576 ?
C31 C32 C29 127.9(6) . 2_576 ?
C27 C32 C29 112.0(6) . 2_576 ?
C27 C32 C31 123.6(8) 2_576 2_576 ?
C28 C32 C31 165.7(9) 2_576 2_576 ?
C32 C32 C31 57.2(4) 2_576 2_576 ?
C31 C32 C31 125.9(4) . 2_576 ?
C27 C32 C31 6.4(4) . 2_576 ?
C29 C32 C31 105.9(7) 2_576 2_576 ?
C27 C32 C33 121.0(7) 2_576 . ?
C28 C32 C33 51.7(7) 2_576 . ?
C32 C32 C33 172.4(6) 2_576 . ?
C31 C32 C33 118.8(4) . . ?
C27 C32 C33 121.1(4) . . ?
C29 C32 C33 10.2(5) 2_576 . ?
C31 C32 C33 115.2(5) 2_576 . ?
C27 C32 C30 173.5(9) 2_576 2_576 ?
C28 C32 C30 114.0(7) 2_576 2_576 ?
C32 C32 C30 109.5(6) 2_576 2_576 ?
C31 C32 C30 177.2(5) . 2_576 ?
C27 C32 C30 58.5(5) . 2_576 ?
C29 C32 C30 53.5(4) 2_576 2_576 ?
C31 C32 C30 52.4(3) 2_576 2_576 ?
C33 C32 C30 62.9(5) . 2_576 ?
C29 C33 C28 114(3) 2_576 2_576 ?
C29 C33 C32 69(2) 2_576 . ?
C28 C33 C32 52.1(5) 2_576 . ?
C29 C33 C30 23(3) 2_576 2_576 ?
C28 C33 C30 111.8(8) 2_576 2_576 ?
C32 C33 C30 60.2(4) . 2_576 ?
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 C13 2.345(2) 2_565 ?
Pb1 N1 2.428(2) 2_565 ?
Pb1 C13 2.442(2) . ?
Pb1 P1 2.9976(7) 2_565 ?
Pb1 Pb1 3.4933(3) 2_565 ?
P1 N1 1.604(2) . ?
P1 C13 1.741(2) . ?
P1 C1 1.819(3) . ?
P1 C7 1.825(2) . ?
P1 Pb1 2.9976(7) 2_565 ?
Si1 N1 1.722(2) . ?
Si1 C26 1.842(3) . ?
Si1 C25 1.845(4) . ?
Si1 C24 1.846(3) . ?
C1 C6 1.380(4) . ?
C1 C2 1.393(4) . ?
N1 Pb1 2.427(2) 2_565 ?
N2 C18 1.337(3) . ?
N2 C14 1.360(3) . ?
N3 C20 1.368(4) . ?
N3 N4 1.378(3) . ?
N3 C18 1.417(4) . ?
N4 C22 1.318(5) . ?
C2 C3 1.370(4) . ?
C3 C4 1.380(5) . ?
C4 C5 1.370(5) . ?
C5 C6 1.395(4) . ?
C7 C12 1.384(4) . ?
C7 C8 1.389(4) . ?
C8 C9 1.380(4) . ?
C9 C10 1.373(5) . ?
C10 C11 1.373(5) . ?
C11 C12 1.389(4) . ?
C13 C14 1.456(3) . ?
C13 Pb1 2.345(2) 2_565 ?
C14 C15 1.396(4) . ?
C15 C16 1.379(4) . ?
C16 C17 1.373(4) . ?
C17 C18 1.383(4) . ?
C19 C20 1.473(5) . ?
C20 C21 1.363(5) . ?
C21 C22 1.383(5) . ?
C22 C23 1.508(5) . ?
C27 C31 0.224(9) 2_576 ?
C27 C32 1.182(9) 2_576 ?
C27 C28 1.3900 . ?
C27 C32 1.3900 . ?
C27 C30 1.473(10) 2_576 ?
C28 C33 1.252(12) 2_576 ?
C28 C32 1.259(11) 2_576 ?
C28 C29 1.3900 . ?
C28 C31 1.473(11) 2_576 ?
C29 C33 0.279(11) 2_576 ?
C29 C30 1.3900 . ?
C29 C32 1.473(10) 2_576 ?
C30 C31 1.3900 . ?
C30 C27 1.473(10) 2_576 ?
C30 C32 1.602(9) 2_576 ?
C30 C33 1.644(12) 2_576 ?
C31 C27 0.224(9) 2_576 ?
C31 C32 1.3900 . ?
C31 C28 1.473(14) 2_576 ?
C31 C32 1.542(10) 2_576 ?
C32 C27 1.182(10) 2_576 ?
C32 C28 1.259(10) 2_576 ?
C32 C32 1.340(11) 2_576 ?
C32 C29 1.473(11) 2_576 ?
C32 C31 1.542(10) 2_576 ?
C32 C33 1.548(7) . ?
C32 C30 1.602(11) 2_576 ?
C33 C29 0.279(12) 2_576 ?
C33 C28 1.252(15) 2_576 ?
C33 C30 1.644(13) 2_576 ?
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
_geom_torsion_publ_flag
N1 P1 C1 C6 -24.7(2) . . . . ?
C13 P1 C1 C6 90.6(2) . . . . ?
C7 P1 C1 C6 -146.2(2) . . . . ?
Pb1 P1 C1 C6 33.4(3) 2_565 . . . ?
N1 P1 C1 C2 160.9(2) . . . . ?
C13 P1 C1 C2 -83.7(2) . . . . ?
C7 P1 C1 C2 39.5(2) . . . . ?
Pb1 P1 C1 C2 -140.89(17) 2_565 . . . ?
C13 P1 N1 Si1 165.78(17) . . . . ?
C1 P1 N1 Si1 -71.91(19) . . . . ?
C7 P1 N1 Si1 44.7(2) . . . . ?
Pb1 P1 N1 Si1 148.0(2) 2_565 . . . ?
C13 P1 N1 Pb1 17.80(10) . . . 2_565 ?
C1 P1 N1 Pb1 140.11(9) . . . 2_565 ?
C7 P1 N1 Pb1 -103.29(10) . . . 2_565 ?
C26 Si1 N1 P1 179.19(19) . . . . ?
C25 Si1 N1 P1 58.3(2) . . . . ?
C24 Si1 N1 P1 -63.5(2) . . . . ?
C26 Si1 N1 Pb1 -40.41(17) . . . 2_565 ?
C25 Si1 N1 Pb1 -161.31(14) . . . 2_565 ?
C24 Si1 N1 Pb1 76.94(19) . . . 2_565 ?
C20 N3 N4 C22 1.3(3) . . . . ?
C18 N3 N4 C22 177.5(2) . . . . ?
C6 C1 C2 C3 0.6(4) . . . . ?
P1 C1 C2 C3 175.0(2) . . . . ?
C1 C2 C3 C4 -1.0(5) . . . . ?
C2 C3 C4 C5 1.4(5) . . . . ?
C3 C4 C5 C6 -1.4(5) . . . . ?
C2 C1 C6 C5 -0.6(4) . . . . ?
P1 C1 C6 C5 -175.1(2) . . . . ?
C4 C5 C6 C1 1.0(5) . . . . ?
N1 P1 C7 C12 91.5(2) . . . . ?
C13 P1 C7 C12 -23.5(3) . . . . ?
C1 P1 C7 C12 -147.6(2) . . . . ?
Pb1 P1 C7 C12 32.6(2) 2_565 . . . ?
N1 P1 C7 C8 -80.6(2) . . . . ?
C13 P1 C7 C8 164.3(2) . . . . ?
C1 P1 C7 C8 40.2(3) . . . . ?
Pb1 P1 C7 C8 -139.5(2) 2_565 . . . ?
C12 C7 C8 C9 -0.9(4) . . . . ?
P1 C7 C8 C9 171.4(2) . . . . ?
C7 C8 C9 C10 1.1(5) . . . . ?
C8 C9 C10 C11 -0.5(5) . . . . ?
C9 C10 C11 C12 -0.3(5) . . . . ?
C8 C7 C12 C11 0.1(4) . . . . ?
P1 C7 C12 C11 -172.2(2) . . . . ?
C10 C11 C12 C7 0.5(5) . . . . ?
N1 P1 C13 C14 -153.0(2) . . . . ?
C1 P1 C13 C14 86.4(2) . . . . ?
C7 P1 C13 C14 -32.1(3) . . . . ?
Pb1 P1 C13 C14 -134.6(2) 2_565 . . . ?
N1 P1 C13 Pb1 -18.44(10) . . . 2_565 ?
C1 P1 C13 Pb1 -139.00(10) . . . 2_565 ?
C7 P1 C13 Pb1 102.50(11) . . . 2_565 ?
N1 P1 C13 Pb1 76.47(12) . . . . ?
C1 P1 C13 Pb1 -44.09(14) . . . . ?
C7 P1 C13 Pb1 -162.60(10) . . . . ?
Pb1 P1 C13 Pb1 94.91(10) 2_565 . . . ?
C13 Pb1 C13 C14 126.6(2) 2_565 . . . ?
N1 Pb1 C13 C14 60.65(17) 2_565 . . . ?
P1 Pb1 C13 C14 92.77(16) 2_565 . . . ?
Pb1 Pb1 C13 C14 126.6(2) 2_565 . . . ?
C13 Pb1 C13 P1 -94.53(12) 2_565 . . . ?
N1 Pb1 C13 P1 -160.49(11) 2_565 . . . ?
P1 Pb1 C13 P1 -128.37(10) 2_565 . . . ?
Pb1 Pb1 C13 P1 -94.53(13) 2_565 . . . ?
C13 Pb1 C13 Pb1 0.0 2_565 . . 2_565 ?
N1 Pb1 C13 Pb1 -65.96(8) 2_565 . . 2_565 ?
P1 Pb1 C13 Pb1 -33.85(7) 2_565 . . 2_565 ?
C18 N2 C14 C15 1.1(3) . . . . ?
C18 N2 C14 C13 179.5(2) . . . . ?
P1 C13 C14 N2 129.7(2) . . . . ?
Pb1 C13 C14 N2 7.3(3) 2_565 . . . ?
Pb1 C13 C14 N2 -100.64(19) . . . . ?
P1 C13 C14 C15 -52.0(3) . . . . ?
Pb1 C13 C14 C15 -174.35(17) 2_565 . . . ?
Pb1 C13 C14 C15 77.7(2) . . . . ?
N2 C14 C15 C16 -1.1(4) . . . . ?
C13 C14 C15 C16 -179.4(2) . . . . ?
C14 C15 C16 C17 0.1(4) . . . . ?
C15 C16 C17 C18 0.9(4) . . . . ?
C14 N2 C18 C17 -0.1(3) . . . . ?
C14 N2 C18 N3 179.50(19) . . . . ?
C16 C17 C18 N2 -0.9(4) . . . . ?
C16 C17 C18 N3 179.5(2) . . . . ?
C20 N3 C18 N2 -34.6(4) . . . . ?
N4 N3 C18 N2 150.0(2) . . . . ?
C20 N3 C18 C17 145.0(3) . . . . ?
N4 N3 C18 C17 -30.4(3) . . . . ?
N4 N3 C20 C21 -1.8(3) . . . . ?
C18 N3 C20 C21 -177.4(2) . . . . ?
N4 N3 C20 C19 173.3(3) . . . . ?
C18 N3 C20 C19 -2.3(4) . . . . ?
N3 C20 C21 C22 1.5(3) . . . . ?
C19 C20 C21 C22 -173.2(3) . . . . ?
N3 N4 C22 C21 -0.3(3) . . . . ?
N3 N4 C22 C23 -177.8(2) . . . . ?
C20 C21 C22 N4 -0.8(4) . . . . ?
C20 C21 C22 C23 176.4(3) . . . . ?
C31 C27 C28 C33 -155(3) 2_576 . . 2_576 ?
C32 C27 C28 C33 3.4(8) 2_576 . . 2_576 ?
C32 C27 C28 C33 7.1(9) . . . 2_576 ?
C30 C27 C28 C33 -155(4) 2_576 . . 2_576 ?
C31 C27 C28 C32 -159(3) 2_576 . . 2_576 ?
C32 C27 C28 C32 3.7(5) . . . 2_576 ?
C30 C27 C28 C32 -159(4) 2_576 . . 2_576 ?
C31 C27 C28 C29 -163(3) 2_576 . . . ?
C32 C27 C28 C29 -3.7(5) 2_576 . . . ?
C32 C27 C28 C29 0.0 . . . . ?
C30 C27 C28 C29 -163(4) 2_576 . . . ?
C32 C27 C28 C31 159(3) 2_576 . . 2_576 ?
C32 C27 C28 C31 163(3) . . . 2_576 ?
C30 C27 C28 C31 0(2) 2_576 . . 2_576 ?
C32 C28 C29 C33 145(4) 2_576 . . 2_576 ?
C27 C28 C29 C33 148(4) . . . 2_576 ?
C31 C28 C29 C33 145(4) 2_576 . . 2_576 ?
C33 C28 C29 C30 -148(4) 2_576 . . . ?
C32 C28 C29 C30 -3.2(5) 2_576 . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C31 C28 C29 C30 -3.2(5) 2_576 . . . ?
C33 C28 C29 C32 -145(4) 2_576 . . 2_576 ?
C27 C28 C29 C32 3.2(5) . . . 2_576 ?
C31 C28 C29 C32 0.0(4) 2_576 . . 2_576 ?
C33 C29 C30 C31 -72(6) 2_576 . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C32 C29 C30 C31 -2.7(4) 2_576 . . . ?
C33 C29 C30 C27 -69(5) 2_576 . . 2_576 ?
C28 C29 C30 C27 2.7(4) . . . 2_576 ?
C32 C29 C30 C27 0.00(19) 2_576 . . 2_576 ?
C33 C29 C30 C32 -69(5) 2_576 . . 2_576 ?
C28 C29 C30 C32 2.7(4) . . . 2_576 ?
C28 C29 C30 C33 72(6) . . . 2_576 ?
C32 C29 C30 C33 69(5) 2_576 . . 2_576 ?
C29 C30 C31 C27 17(3) . . . 2_576 ?
C32 C30 C31 C27 15(3) 2_576 . . 2_576 ?
C33 C30 C31 C27 13(3) 2_576 . . 2_576 ?
C29 C30 C31 C32 0.0 . . . . ?
C27 C30 C31 C32 -17(3) 2_576 . . . ?
C32 C30 C31 C32 -2.6(4) 2_576 . . . ?
C33 C30 C31 C32 -4.8(6) 2_576 . . . ?
C29 C30 C31 C28 17(5) . . . 2_576 ?
C27 C30 C31 C28 0(3) 2_576 . . 2_576 ?
C32 C30 C31 C28 15(5) 2_576 . . 2_576 ?
C33 C30 C31 C28 13(5) 2_576 . . 2_576 ?
C29 C30 C31 C32 2.6(4) . . . 2_576 ?
C27 C30 C31 C32 -15(3) 2_576 . . 2_576 ?
C33 C30 C31 C32 -2.2(5) 2_576 . . 2_576 ?
C30 C31 C32 C27 56(8) . . . 2_576 ?
C28 C31 C32 C27 -121(8) 2_576 . . 2_576 ?
C32 C31 C32 C27 53(8) 2_576 . . 2_576 ?
C27 C31 C32 C28 121(8) 2_576 . . 2_576 ?
C30 C31 C32 C28 176.8(10) . . . 2_576 ?
C32 C31 C32 C28 173.9(13) 2_576 . . 2_576 ?
C27 C31 C32 C32 -53(8) 2_576 . . 2_576 ?
C30 C31 C32 C32 3.0(4) . . . 2_576 ?
C28 C31 C32 C32 -173.9(13) 2_576 . . 2_576 ?
C27 C31 C32 C27 -56(8) 2_576 . . . ?
C30 C31 C32 C27 0.0 . . . . ?
C28 C31 C32 C27 -176.8(10) 2_576 . . . ?
C32 C31 C32 C27 -3.0(4) 2_576 . . . ?
C27 C31 C32 C29 121(8) 2_576 . . 2_576 ?
C30 C31 C32 C29 176.8(10) . . . 2_576 ?
C28 C31 C32 C29 0.0(4) 2_576 . . 2_576 ?
C32 C31 C32 C29 173.9(12) 2_576 . . 2_576 ?
C27 C31 C32 C31 -53(8) 2_576 . . 2_576 ?
C30 C31 C32 C31 2.9(4) . . . 2_576 ?
C28 C31 C32 C31 -173.9(12) 2_576 . . 2_576 ?
C32 C31 C32 C31 0.0(3) 2_576 . . 2_576 ?
C27 C31 C32 C33 126(8) 2_576 . . . ?
C30 C31 C32 C33 -177.6(7) . . . . ?
C28 C31 C32 C33 5.5(8) 2_576 . . . ?
C32 C31 C32 C33 179.4(8) 2_576 . . . ?
C27 C31 C32 C30 0(8) 2_576 . . 2_576 ?
C30 C31 C32 C30 56(10) . . . 2_576 ?
C28 C31 C32 C30 -121(11) 2_576 . . 2_576 ?
C32 C31 C32 C30 53(10) 2_576 . . 2_576 ?
C31 C27 C32 C27 155(4) 2_576 . . 2_576 ?
C32 C27 C32 C27 0.0(2) 2_576 . . 2_576 ?
C28 C27 C32 C27 -3.5(6) . . . 2_576 ?
C30 C27 C32 C27 173.8(11) 2_576 . . 2_576 ?
C31 C27 C32 C28 0(6) 2_576 . . 2_576 ?
C32 C27 C32 C28 -155(7) 2_576 . . 2_576 ?
C28 C27 C32 C28 -158(7) . . . 2_576 ?
C30 C27 C32 C28 19(6) 2_576 . . 2_576 ?
C31 C27 C32 C32 155(4) 2_576 . . 2_576 ?
C28 C27 C32 C32 -3.5(5) . . . 2_576 ?
C30 C27 C32 C32 173.8(9) 2_576 . . 2_576 ?
C31 C27 C32 C31 158(3) 2_576 . . . ?
C32 C27 C32 C31 3.5(5) 2_576 . . . ?
C28 C27 C32 C31 0.0 . . . . ?
C30 C27 C32 C31 177.3(6) 2_576 . . . ?
C31 C27 C32 C29 -19(3) 2_576 . . 2_576 ?
C32 C27 C32 C29 -173.8(11) 2_576 . . 2_576 ?
C28 C27 C32 C29 -177.3(8) . . . 2_576 ?
C30 C27 C32 C29 0.0(4) 2_576 . . 2_576 ?
C32 C27 C32 C31 -155(4) 2_576 . . 2_576 ?
C28 C27 C32 C31 -158(3) . . . 2_576 ?
C30 C27 C32 C31 19(3) 2_576 . . 2_576 ?
C31 C27 C32 C33 -24(3) 2_576 . . . ?
C32 C27 C32 C33 -178.9(9) 2_576 . . . ?
C28 C27 C32 C33 177.6(7) . . . . ?
C30 C27 C32 C33 -5.1(6) 2_576 . . . ?
C31 C27 C32 C30 -19(3) 2_576 . . 2_576 ?
C32 C27 C32 C30 -173.8(9) 2_576 . . 2_576 ?
C28 C27 C32 C30 -177.3(6) . . . 2_576 ?
C27 C32 C33 C29 -151(4) 2_576 . . 2_576 ?
C28 C32 C33 C29 -148(4) 2_576 . . 2_576 ?
C32 C32 C33 C29 21(6) 2_576 . . 2_576 ?
C31 C32 C33 C29 -155(3) . . . 2_576 ?
C27 C32 C33 C29 28(4) . . . 2_576 ?
C31 C32 C33 C29 25(3) 2_576 . . 2_576 ?
C30 C32 C33 C29 23(3) 2_576 . . 2_576 ?
C27 C32 C33 C28 -3.0(6) 2_576 . . 2_576 ?
C32 C32 C33 C28 169(6) 2_576 . . 2_576 ?
C31 C32 C33 C28 -6.5(9) . . . 2_576 ?
C27 C32 C33 C28 175.9(11) . . . 2_576 ?
C29 C32 C33 C28 148(4) 2_576 . . 2_576 ?
C31 C32 C33 C28 173.0(12) 2_576 . . 2_576 ?
C30 C32 C33 C28 171.0(12) 2_576 . . 2_576 ?
C27 C32 C33 C30 -174.0(11) 2_576 . . 2_576 ?
C28 C32 C33 C30 -171.0(12) 2_576 . . 2_576 ?
C32 C32 C33 C30 -2(6) 2_576 . . 2_576 ?
C31 C32 C33 C30 -177.5(6) . . . 2_576 ?
C27 C32 C33 C30 4.9(6) . . . 2_576 ?
C29 C32 C33 C30 -23(3) 2_576 . . 2_576 ?
C31 C32 C33 C30 2.0(4) 2_576 . . 2_576 ?
