#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:50:02 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179766 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/62/7006205.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_7006205
loop_
_publ_author_name
'Mukhopadhyay, Suman'
'Lasri, Jamal'
'Januário Charmier, M. Adília'
'Guedes da Silva, M. Fátima C.'
'Pombeiro, Armando J. L.'
_publ_section_title
;
 Microwave synthesis of mono- and bis-tetrazolato complexes via
 1,3-dipolar cycloaddition of organonitriles with platinum(ii)-bound
 azides
;
_journal_issue                   45
_journal_name_full               'Dalton Transactions'
_journal_page_first              5297
_journal_paper_doi               10.1039/b709959b
_journal_year                    2007
_chemical_formula_moiety         'C40 H35 N5 P2 Pt'
_chemical_formula_sum            'C40 H35 N5 P2 Pt'
_chemical_formula_weight         842.76
_chemical_name_systematic
;
?
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 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                 98.967(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.3467(5)
_cell_length_b                   15.5678(9)
_cell_length_c                   12.3442(7)
_cell_measurement_reflns_used    8657
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.50
_cell_measurement_theta_min      2.56
_cell_volume                     1774.22(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0549
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26752
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    4.081
_exptl_absorpt_correction_T_max  0.8220
_exptl_absorpt_correction_T_min  0.7361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             836
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.520
_refine_diff_density_min         -1.022
_refine_diff_density_rms         0.104
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.004(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8860
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0501
_refine_ls_wR_factor_ref         0.0515
_reflns_number_gt                8121
_reflns_number_total             8860
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b709959b.txt
_cod_data_source_block           sm_c66
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'multiscan' 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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      Pn
_cod_database_code               7006205
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y, 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
C1 C 1.0143(5) 0.4907(2) 0.4251(3) 0.0279(9) Uani 1 1 d . . .
C2 C 0.9668(6) 0.3985(2) 0.4088(4) 0.0378(11) Uani 1 1 d . . .
H2A H 0.9714 0.3815 0.3322 0.045 Uiso 1 1 calc R . .
H2B H 0.8647 0.3935 0.4206 0.045 Uiso 1 1 calc R . .
C3 C 1.0592(7) 0.3370(3) 0.4860(4) 0.0483(14) Uani 1 1 d . . .
H3A H 1.0233 0.2782 0.4723 0.072 Uiso 1 1 calc R . .
H3B H 1.0540 0.3529 0.5621 0.072 Uiso 1 1 calc R . .
H3C H 1.1600 0.3403 0.4732 0.072 Uiso 1 1 calc R . .
C101 C 0.8135(6) 0.8306(3) 0.2119(3) 0.0288(10) Uani 1 1 d . . .
C102 C 0.8214(6) 0.8601(3) 0.1064(4) 0.0432(12) Uani 1 1 d . . .
H102 H 0.9100 0.8560 0.0781 0.052 Uiso 1 1 calc R . .
C103 C 0.7001(9) 0.8953(4) 0.0427(5) 0.061(2) Uani 1 1 d . . .
H103 H 0.7066 0.9168 -0.0284 0.073 Uiso 1 1 calc R . .
C104 C 0.5701(8) 0.8992(3) 0.0825(6) 0.071(2) Uani 1 1 d . . .
H104 H 0.4883 0.9256 0.0401 0.085 Uiso 1 1 calc R . .
C105 C 0.5592(6) 0.8651(4) 0.1827(5) 0.0599(16) Uani 1 1 d . . .
H105 H 0.4679 0.8637 0.2074 0.072 Uiso 1 1 calc R . .
C106 C 0.6813(6) 0.8324(3) 0.2490(4) 0.0414(12) Uani 1 1 d . . .
H106 H 0.6738 0.8113 0.3201 0.050 Uiso 1 1 calc R . .
C111 C 1.0319(4) 0.7039(2) 0.2091(3) 0.0220(8) Uani 1 1 d . . .
C112 C 0.9281(5) 0.6498(2) 0.1530(3) 0.0319(9) Uani 1 1 d . . .
H112 H 0.8294 0.6556 0.1620 0.038 Uiso 1 1 calc R . .
C113 C 0.9686(6) 0.5866(3) 0.0830(4) 0.0397(12) Uani 1 1 d . . .
H113 H 0.8975 0.5496 0.0441 0.048 Uiso 1 1 calc R . .
C114 C 1.1098(6) 0.5785(3) 0.0709(3) 0.0382(11) Uani 1 1 d . . .
H114 H 1.1371 0.5358 0.0230 0.046 Uiso 1 1 calc R . .
C115 C 1.2146(6) 0.6316(3) 0.1274(3) 0.0376(11) Uani 1 1 d . . .
H115 H 1.3133 0.6257 0.1186 0.045 Uiso 1 1 calc R . .
C116 C 1.1738(5) 0.6936(3) 0.1969(3) 0.0314(10) Uani 1 1 d . . .
H116 H 1.2455 0.7295 0.2369 0.038 Uiso 1 1 calc R . .
C121 C 1.1176(5) 0.8650(2) 0.3163(3) 0.0267(8) Uani 1 1 d . . .
C122 C 1.2297(6) 0.8493(3) 0.4024(4) 0.0398(11) Uani 1 1 d . . .
H122 H 1.2236 0.8015 0.4493 0.048 Uiso 1 1 calc R . .
C123 C 1.3500(6) 0.9024(3) 0.4205(4) 0.0539(14) Uani 1 1 d . . .
H123 H 1.4257 0.8913 0.4797 0.065 Uiso 1 1 calc R . .
C124 C 1.3589(7) 0.9711(3) 0.3521(4) 0.0566(16) Uani 1 1 d . . .
H124 H 1.4413 1.0077 0.3642 0.068 Uiso 1 1 calc R . .
C125 C 1.2501(7) 0.9876(3) 0.2665(5) 0.0523(15) Uani 1 1 d . . .
H125 H 1.2578 1.0351 0.2194 0.063 Uiso 1 1 calc R . .
C126 C 1.1278(6) 0.9347(2) 0.2485(4) 0.0386(11) Uani 1 1 d . . .
H126 H 1.0519 0.9466 0.1897 0.046 Uiso 1 1 calc R . .
C201 C 0.7270(4) 0.7244(2) 0.6665(3) 0.0215(7) Uani 1 1 d . . .
C202 C 0.6776(5) 0.7814(2) 0.7395(3) 0.0278(9) Uani 1 1 d . . .
H202 H 0.7452 0.8125 0.7903 0.033 Uiso 1 1 calc R . .
C203 C 0.5304(5) 0.7928(3) 0.7383(4) 0.0380(10) Uani 1 1 d . . .
H203 H 0.4974 0.8322 0.7878 0.046 Uiso 1 1 calc R . .
C204 C 0.4311(6) 0.7472(2) 0.6651(4) 0.0400(11) Uani 1 1 d . . .
H204 H 0.3302 0.7556 0.6641 0.048 Uiso 1 1 calc R . .
C205 C 0.4788(5) 0.6894(3) 0.5938(4) 0.0375(10) Uani 1 1 d . . .
H205 H 0.4109 0.6571 0.5448 0.045 Uiso 1 1 calc R . .
C206 C 0.6258(5) 0.6786(2) 0.5938(3) 0.0293(9) Uani 1 1 d . . .
H206 H 0.6581 0.6395 0.5436 0.035 Uiso 1 1 calc R . .
C211 C 1.0219(4) 0.7855(2) 0.7493(3) 0.0213(7) Uani 1 1 d . . .
C212 C 1.0437(6) 0.7642(2) 0.8606(3) 0.0350(10) Uani 1 1 d . . .
H212 H 0.9998 0.7142 0.8847 0.042 Uiso 1 1 calc R . .
C213 C 1.1296(6) 0.8163(3) 0.9364(4) 0.0492(14) Uani 1 1 d . . .
H213 H 1.1439 0.8018 1.0121 0.059 Uiso 1 1 calc R . .
C214 C 1.1931(7) 0.8880(4) 0.9017(5) 0.0483(16) Uani 1 1 d . . .
H214 H 1.2502 0.9237 0.9539 0.058 Uiso 1 1 calc R . .
C215 C 1.1759(5) 0.9092(2) 0.7932(4) 0.0392(11) Uani 1 1 d . . .
H215 H 1.2218 0.9589 0.7701 0.047 Uiso 1 1 calc R . .
C216 C 1.0897(5) 0.8571(3) 0.7154(4) 0.0274(10) Uani 1 1 d . . .
H216 H 1.0784 0.8713 0.6397 0.033 Uiso 1 1 calc R . .
C221 C 0.9729(4) 0.6080(2) 0.7044(3) 0.0192(7) Uani 1 1 d . . .
C222 C 1.1130(4) 0.5824(2) 0.6947(3) 0.0218(8) Uani 1 1 d . . .
H222 H 1.1716 0.6180 0.6570 0.026 Uiso 1 1 calc R . .
C223 C 1.1674(5) 0.5057(3) 0.7392(3) 0.0260(9) Uani 1 1 d . . .
H223 H 1.2629 0.4886 0.7318 0.031 Uiso 1 1 calc R . .
C224 C 1.0839(5) 0.4538(2) 0.7943(3) 0.0279(9) Uani 1 1 d . . .
H224 H 1.1220 0.4011 0.8251 0.033 Uiso 1 1 calc R . .
C225 C 0.9441(5) 0.4782(2) 0.8051(3) 0.0278(9) Uani 1 1 d . . .
H225 H 0.8865 0.4420 0.8429 0.033 Uiso 1 1 calc R . .
C226 C 0.8882(5) 0.5557(2) 0.7607(3) 0.0240(8) Uani 1 1 d . . .
H226 H 0.7929 0.5729 0.7687 0.029 Uiso 1 1 calc R . .
N1 N 0.9248(4) 0.55459(16) 0.4408(2) 0.0211(7) Uani 1 1 d . . .
N11 N 1.0113(4) 0.62343(18) 0.4478(3) 0.0207(7) Uani 1 1 d . . .
N12 N 1.1452(4) 0.6028(2) 0.4387(3) 0.0271(7) Uani 1 1 d . . .
N13 N 1.1497(4) 0.5177(2) 0.4244(3) 0.0308(8) Uani 1 1 d . . .
C21 C 0.8564(6) 0.8581(2) 0.4940(3) 0.0312(11) Uani 1 1 d . . .
N21 N 0.8087(6) 0.9232(2) 0.5076(3) 0.0488(12) Uani 1 1 d . . .
P1 P 0.97138(14) 0.78637(6) 0.29762(9) 0.0216(2) Uani 1 1 d . . .
P2 P 0.91525(13) 0.71341(5) 0.65208(9) 0.01797(19) Uani 1 1 d . . .
Pt1 Pt 0.93717(4) 0.743432(6) 0.47167(3) 0.01914(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'
N N 0.0061 0.0033 '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'
Pt Pt -1.7033 8.3905 '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
N13 C1 N1 112.5(3) . . ?
N13 C1 C2 124.0(4) . . ?
N1 C1 C2 123.5(4) . . ?
C1 C2 C3 112.9(4) . . ?
C1 C2 H2A 109.0 . . ?
C3 C2 H2A 109.0 . . ?
C1 C2 H2B 109.0 . . ?
C3 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C106 C101 C102 118.9(5) . . ?
C106 C101 P1 120.2(3) . . ?
C102 C101 P1 120.9(4) . . ?
C101 C102 C103 120.2(6) . . ?
C101 C102 H102 119.9 . . ?
C103 C102 H102 119.9 . . ?
C104 C103 C102 120.2(6) . . ?
C104 C103 H103 119.9 . . ?
C102 C103 H103 119.9 . . ?
C105 C104 C103 119.9(5) . . ?
C105 C104 H104 120.0 . . ?
C103 C104 H104 120.0 . . ?
C104 C105 C106 120.3(6) . . ?
C104 C105 H105 119.8 . . ?
C106 C105 H105 119.8 . . ?
C101 C106 C105 120.4(5) . . ?
C101 C106 H106 119.8 . . ?
C105 C106 H106 119.8 . . ?
C116 C111 C112 119.3(4) . . ?
C116 C111 P1 122.9(3) . . ?
C112 C111 P1 117.8(3) . . ?
C111 C112 C113 120.0(4) . . ?
C111 C112 H112 120.0 . . ?
C113 C112 H112 120.0 . . ?
C114 C113 C112 119.7(4) . . ?
C114 C113 H113 120.2 . . ?
C112 C113 H113 120.2 . . ?
C113 C114 C115 120.8(4) . . ?
C113 C114 H114 119.6 . . ?
C115 C114 H114 119.6 . . ?
C116 C115 C114 119.2(5) . . ?
C116 C115 H115 120.4 . . ?
C114 C115 H115 120.4 . . ?
C111 C116 C115 121.1(4) . . ?
C111 C116 H116 119.5 . . ?
C115 C116 H116 119.5 . . ?
C126 C121 C122 119.1(4) . . ?
C126 C121 P1 124.9(4) . . ?
C122 C121 P1 116.0(3) . . ?
C123 C122 C121 120.8(4) . . ?
C123 C122 H122 119.6 . . ?
C121 C122 H122 119.6 . . ?
C124 C123 C122 119.4(5) . . ?
C124 C123 H123 120.3 . . ?
C122 C123 H123 120.3 . . ?
C125 C124 C123 120.7(5) . . ?
C125 C124 H124 119.7 . . ?
C123 C124 H124 119.7 . . ?
C124 C125 C126 120.1(4) . . ?
C124 C125 H125 119.9 . . ?
C126 C125 H125 119.9 . . ?
C121 C126 C125 119.8(5) . . ?
C121 C126 H126 120.1 . . ?
C125 C126 H126 120.1 . . ?
C202 C201 C206 118.8(4) . . ?
C202 C201 P2 123.4(3) . . ?
C206 C201 P2 117.5(3) . . ?
C203 C202 C201 120.2(4) . . ?
C203 C202 H202 119.9 . . ?
C201 C202 H202 119.9 . . ?
C202 C203 C204 120.3(4) . . ?
C202 C203 H203 119.9 . . ?
C204 C203 H203 119.9 . . ?
C205 C204 C203 119.9(5) . . ?
C205 C204 H204 120.0 . . ?
C203 C204 H204 120.0 . . ?
C204 C205 C206 119.9(4) . . ?
C204 C205 H205 120.0 . . ?
C206 C205 H205 120.0 . . ?
C205 C206 C201 120.7(4) . . ?
C205 C206 H206 119.6 . . ?
C201 C206 H206 119.6 . . ?
C216 C211 C212 119.1(4) . . ?
C216 C211 P2 121.9(3) . . ?
C212 C211 P2 118.9(3) . . ?
C211 C212 C213 120.2(4) . . ?
C211 C212 H212 119.9 . . ?
C213 C212 H212 119.9 . . ?
C214 C213 C212 119.9(5) . . ?
C214 C213 H213 120.1 . . ?
C212 C213 H213 120.1 . . ?
C213 C214 C215 121.0(5) . . ?
C213 C214 H214 119.5 . . ?
C215 C214 H214 119.5 . . ?
C214 C215 C216 119.8(4) . . ?
C214 C215 H215 120.1 . . ?
C216 C215 H215 120.1 . . ?
C211 C216 C215 120.0(4) . . ?
C211 C216 H216 120.0 . . ?
C215 C216 H216 120.0 . . ?
C222 C221 C226 119.4(3) . . ?
C222 C221 P2 117.4(3) . . ?
C226 C221 P2 123.0(3) . . ?
C223 C222 C221 120.5(4) . . ?
C223 C222 H222 119.8 . . ?
C221 C222 H222 119.8 . . ?
C222 C223 C224 120.2(4) . . ?
C222 C223 H223 119.9 . . ?
C224 C223 H223 119.9 . . ?
C223 C224 C225 120.2(3) . . ?
C223 C224 H224 119.9 . . ?
C225 C224 H224 119.9 . . ?
C224 C225 C226 120.0(4) . . ?
C224 C225 H225 120.0 . . ?
C226 C225 H225 120.0 . . ?
C225 C226 C221 119.6(4) . . ?
C225 C226 H226 120.2 . . ?
C221 C226 H226 120.2 . . ?
N11 N1 C1 102.8(3) . . ?
N12 N11 N1 111.9(3) . . ?
N12 N11 Pt1 126.0(2) . . ?
N1 N11 Pt1 122.1(3) . . ?
N11 N12 N13 107.6(3) . . ?
C1 N13 N12 105.2(3) . . ?
N21 C21 Pt1 179.0(4) . . ?
C101 P1 C121 110.2(2) . . ?
C101 P1 C111 102.53(19) . . ?
C121 P1 C111 104.55(19) . . ?
C101 P1 Pt1 115.65(16) . . ?
C121 P1 Pt1 106.58(13) . . ?
C111 P1 Pt1 116.79(11) . . ?
C201 P2 C221 106.93(17) . . ?
C201 P2 C211 108.58(17) . . ?
C221 P2 C211 102.73(17) . . ?
C201 P2 Pt1 108.02(12) . . ?
C221 P2 Pt1 117.33(12) . . ?
C211 P2 Pt1 112.83(13) . . ?
C21 Pt1 N11 177.5(2) . . ?
C21 Pt1 P2 87.44(12) . . ?
N11 Pt1 P2 92.12(9) . . ?
C21 Pt1 P1 88.82(12) . . ?
N11 Pt1 P1 91.81(9) . . ?
P2 Pt1 P1 174.10(4) . . ?
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
C1 N13 1.335(6) . ?
C1 N1 1.333(5) . ?
C1 C2 1.507(5) . ?
C2 C3 1.521(6) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C101 C106 1.383(7) . ?
C101 C102 1.393(6) . ?
C101 P1 1.812(5) . ?
C102 C103 1.387(8) . ?
C102 H102 0.9500 . ?
C103 C104 1.382(10) . ?
C103 H103 0.9500 . ?
C104 C105 1.365(9) . ?
C104 H104 0.9500 . ?
C105 C106 1.393(7) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C111 C116 1.368(6) . ?
C111 C112 1.386(5) . ?
C111 P1 1.831(4) . ?
C112 C113 1.400(6) . ?
C112 H112 0.9500 . ?
C113 C114 1.357(7) . ?
C113 H113 0.9500 . ?
C114 C115 1.386(7) . ?
C114 H114 0.9500 . ?
C115 C116 1.383(6) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C121 C126 1.382(5) . ?
C121 C122 1.393(6) . ?
C121 P1 1.823(4) . ?
C122 C123 1.385(7) . ?
C122 H122 0.9500 . ?
C123 C124 1.374(7) . ?
C123 H123 0.9500 . ?
C124 C125 1.371(8) . ?
C124 H124 0.9500 . ?
C125 C126 1.398(7) . ?
C125 H125 0.9500 . ?
C126 H126 0.9500 . ?
C201 C202 1.393(6) . ?
C201 C206 1.394(5) . ?
C201 P2 1.804(4) . ?
C202 C203 1.385(6) . ?
C202 H202 0.9500 . ?
C203 C204 1.386(7) . ?
C203 H203 0.9500 . ?
C204 C205 1.380(7) . ?
C204 H204 0.9500 . ?
C205 C206 1.384(6) . ?
C205 H205 0.9500 . ?
C206 H206 0.9500 . ?
C211 C216 1.380(5) . ?
C211 C212 1.396(5) . ?
C211 P2 1.822(4) . ?
C212 C213 1.394(6) . ?
C212 H212 0.9500 . ?
C213 C214 1.364(8) . ?
C213 H213 0.9500 . ?
C214 C215 1.365(7) . ?
C214 H214 0.9500 . ?
C215 C216 1.409(6) . ?
C215 H215 0.9500 . ?
C216 H216 0.9500 . ?
C221 C222 1.392(5) . ?
C221 C226 1.394(5) . ?
C221 P2 1.814(3) . ?
C222 C223 1.378(5) . ?
C222 H222 0.9500 . ?
C223 C224 1.375(6) . ?
C223 H223 0.9500 . ?
C224 C225 1.386(6) . ?
C224 H224 0.9500 . ?
C225 C226 1.394(5) . ?
C225 H225 0.9500 . ?
C226 H226 0.9500 . ?
N1 N11 1.337(4) . ?
N11 N12 1.314(5) . ?
N11 Pt1 2.030(3) . ?
N12 N13 1.338(4) . ?
C21 N21 1.130(5) . ?
C21 Pt1 1.973(4) . ?
P1 Pt1 2.3193(13) . ?
P2 Pt1 2.3156(13) . ?
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
N13 C1 C2 C3 52.7(6) . . . . ?
N1 C1 C2 C3 -127.9(4) . . . . ?
C106 C101 C102 C103 3.8(7) . . . . ?
P1 C101 C102 C103 -178.7(4) . . . . ?
C101 C102 C103 C104 -1.7(9) . . . . ?
C102 C103 C104 C105 -2.8(9) . . . . ?
C103 C104 C105 C106 5.1(8) . . . . ?
C102 C101 C106 C105 -1.5(7) . . . . ?
P1 C101 C106 C105 -179.0(3) . . . . ?
C104 C105 C106 C101 -3.0(7) . . . . ?
C116 C111 C112 C113 -1.4(6) . . . . ?
P1 C111 C112 C113 179.0(3) . . . . ?
C111 C112 C113 C114 0.3(6) . . . . ?
C112 C113 C114 C115 0.3(7) . . . . ?
C113 C114 C115 C116 0.1(7) . . . . ?
C112 C111 C116 C115 1.8(6) . . . . ?
P1 C111 C116 C115 -178.6(3) . . . . ?
C114 C115 C116 C111 -1.1(6) . . . . ?
C126 C121 C122 C123 0.1(7) . . . . ?
P1 C121 C122 C123 176.6(4) . . . . ?
C121 C122 C123 C124 -0.4(8) . . . . ?
C122 C123 C124 C125 0.1(8) . . . . ?
C123 C124 C125 C126 0.5(8) . . . . ?
C122 C121 C126 C125 0.5(7) . . . . ?
P1 C121 C126 C125 -175.6(4) . . . . ?
C124 C125 C126 C121 -0.8(7) . . . . ?
C206 C201 C202 C203 -0.9(6) . . . . ?
P2 C201 C202 C203 173.4(3) . . . . ?
C201 C202 C203 C204 0.6(6) . . . . ?
C202 C203 C204 C205 0.6(6) . . . . ?
C203 C204 C205 C206 -1.4(6) . . . . ?
C204 C205 C206 C201 1.1(6) . . . . ?
C202 C201 C206 C205 0.1(6) . . . . ?
P2 C201 C206 C205 -174.5(3) . . . . ?
C216 C211 C212 C213 1.8(7) . . . . ?
P2 C211 C212 C213 177.4(4) . . . . ?
C211 C212 C213 C214 -0.2(8) . . . . ?
C212 C213 C214 C215 -1.1(9) . . . . ?
C213 C214 C215 C216 0.8(8) . . . . ?
C212 C211 C216 C215 -2.0(6) . . . . ?
P2 C211 C216 C215 -177.5(3) . . . . ?
C214 C215 C216 C211 0.7(7) . . . . ?
C226 C221 C222 C223 0.6(5) . . . . ?
P2 C221 C222 C223 175.6(3) . . . . ?
C221 C222 C223 C224 -0.4(6) . . . . ?
C222 C223 C224 C225 0.2(6) . . . . ?
C223 C224 C225 C226 -0.4(6) . . . . ?
C224 C225 C226 C221 0.7(6) . . . . ?
C222 C221 C226 C225 -0.8(5) . . . . ?
P2 C221 C226 C225 -175.5(3) . . . . ?
N13 C1 N1 N11 1.1(4) . . . . ?
C2 C1 N1 N11 -178.3(3) . . . . ?
C1 N1 N11 N12 -0.9(4) . . . . ?
C1 N1 N11 Pt1 179.8(2) . . . . ?
N1 N11 N12 N13 0.4(4) . . . . ?
Pt1 N11 N12 N13 179.7(2) . . . . ?
N1 C1 N13 N12 -0.9(4) . . . . ?
C2 C1 N13 N12 178.5(3) . . . . ?
N11 N12 N13 C1 0.3(4) . . . . ?
C106 C101 P1 C121 -124.7(4) . . . . ?
C102 C101 P1 C121 57.9(4) . . . . ?
C106 C101 P1 C111 124.5(4) . . . . ?
C102 C101 P1 C111 -53.0(4) . . . . ?
C106 C101 P1 Pt1 -3.7(4) . . . . ?
C102 C101 P1 Pt1 178.8(3) . . . . ?
C126 C121 P1 C101 -20.4(4) . . . . ?
C122 C121 P1 C101 163.4(3) . . . . ?
C126 C121 P1 C111 89.1(4) . . . . ?
C122 C121 P1 C111 -87.1(3) . . . . ?
C126 C121 P1 Pt1 -146.6(3) . . . . ?
C122 C121 P1 Pt1 37.2(4) . . . . ?
C116 C111 P1 C101 134.9(3) . . . . ?
C112 C111 P1 C101 -45.5(3) . . . . ?
C116 C111 P1 C121 19.9(4) . . . . ?
C112 C111 P1 C121 -160.5(3) . . . . ?
C116 C111 P1 Pt1 -97.6(3) . . . . ?
C112 C111 P1 Pt1 82.0(3) . . . . ?
C202 C201 P2 C221 111.7(3) . . . . ?
C206 C201 P2 C221 -74.0(3) . . . . ?
C202 C201 P2 C211 1.5(4) . . . . ?
C206 C201 P2 C211 175.8(3) . . . . ?
C202 C201 P2 Pt1 -121.2(3) . . . . ?
C206 C201 P2 Pt1 53.1(3) . . . . ?
C222 C221 P2 C201 175.6(3) . . . . ?
C226 C221 P2 C201 -9.6(3) . . . . ?
C222 C221 P2 C211 -70.2(3) . . . . ?
C226 C221 P2 C211 104.6(3) . . . . ?
C222 C221 P2 Pt1 54.2(3) . . . . ?
C226 C221 P2 Pt1 -131.0(3) . . . . ?
C216 C211 P2 C201 -110.8(4) . . . . ?
C212 C211 P2 C201 73.7(4) . . . . ?
C216 C211 P2 C221 136.2(4) . . . . ?
C212 C211 P2 C221 -39.4(4) . . . . ?
C216 C211 P2 Pt1 8.9(4) . . . . ?
C212 C211 P2 Pt1 -166.6(3) . . . . ?
N21 C21 Pt1 N11 39(28) . . . . ?
N21 C21 Pt1 P2 -41(26) . . . . ?
N21 C21 Pt1 P1 143(26) . . . . ?
N12 N11 Pt1 C21 173(4) . . . . ?
N1 N11 Pt1 C21 -8(4) . . . . ?
N12 N11 Pt1 P2 -107.2(3) . . . . ?
N1 N11 Pt1 P2 72.0(3) . . . . ?
N12 N11 Pt1 P1 68.3(3) . . . . ?
N1 N11 Pt1 P1 -112.4(3) . . . . ?
C201 P2 Pt1 C21 59.24(19) . . . . ?
C221 P2 Pt1 C21 -179.9(2) . . . . ?
C211 P2 Pt1 C21 -60.8(2) . . . . ?
C201 P2 Pt1 N11 -118.30(15) . . . . ?
C221 P2 Pt1 N11 2.56(18) . . . . ?
C211 P2 Pt1 N11 121.68(17) . . . . ?
C201 P2 Pt1 P1 110.0(6) . . . . ?
C221 P2 Pt1 P1 -129.1(5) . . . . ?
C211 P2 Pt1 P1 -10.0(6) . . . . ?
C101 P1 Pt1 C21 -52.6(2) . . . . ?
C121 P1 Pt1 C21 70.2(2) . . . . ?
C111 P1 Pt1 C21 -173.4(2) . . . . ?
C101 P1 Pt1 N11 124.98(19) . . . . ?
C121 P1 Pt1 N11 -112.18(17) . . . . ?
C111 P1 Pt1 N11 4.18(19) . . . . ?
C101 P1 Pt1 P2 -103.3(6) . . . . ?
C121 P1 Pt1 P2 19.5(6) . . . . ?
C111 P1 Pt1 P2 135.9(5) . . . . ?
