#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:09:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179233 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/53/4315341.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_4315341
loop_
_publ_author_name
'Allen T. Ekubo'
'Mark R. J. Elsegood'
'Andrew J. Lake'
'Martin B. Smith'
_publ_section_title
;
 Unusual Metal-Coordinated Zwitterionic P-C-N-C-N-C Phosphido Adducts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3703
_journal_page_last               3705
_journal_paper_doi               10.1021/ic1002308
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         '2(C34 H38 N4 P2 Pt2 Cl4), 2(C 2H 2Cl)'
_chemical_formula_sum            'C35 H40 Cl6 N4 P2 Pt2'
_chemical_formula_weight         1181.53
_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                114.1393(2)
_cell_angle_beta                 96.4836(2)
_cell_angle_gamma                90.2454(2)
_cell_formula_units_Z            4
_cell_length_a                   12.5972(3)
_cell_length_b                   17.1567(4)
_cell_length_c                   20.8242(4)
_cell_measurement_reflns_used    13616
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.78
_cell_measurement_theta_min      2.38
_cell_volume                     4074.50(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX 2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.901
_diffrn_measurement_device_type  'Bruker APEX 2 CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6884
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0502
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            49750
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         31.09
_diffrn_reflns_theta_min         1.26
_diffrn_standards_decay_%        3
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.362
_exptl_absorpt_correction_T_max  0.710
_exptl_absorpt_correction_T_min  0.076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2007/2, Sheldrick, G.M., (2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.926
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             2264
_exptl_crystal_size_max          0.72
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_platon_squeeze_details
;
;
_refine_diff_density_max         2.198
_refine_diff_density_min         -1.147
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     841
_refine_ls_number_reflns         25936
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0378
_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)+(0.0371P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0884
_refine_ls_wR_factor_ref         0.0932
_reflns_number_gt                20263
_reflns_number_total             25936
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1002308_si_002_3.cif
_cod_data_source_block           4
_cod_database_code               4315341
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
Pt1 Pt 0.049574(12) 0.829906(9) 0.245174(8) 0.01805(4) Uani 1 1 d . . .
Cl1 Cl 0.01990(9) 0.96462(6) 0.24129(6) 0.0276(2) Uani 1 1 d . . .
Cl2 Cl 0.23595(8) 0.84621(6) 0.24270(6) 0.0249(2) Uani 1 1 d . . .
Pt2 Pt -0.103932(13) 0.662270(9) 0.252158(8) 0.01829(4) Uani 1 1 d . . .
Cl3 Cl -0.29189(9) 0.64127(7) 0.24885(6) 0.0282(2) Uani 1 1 d . . .
Cl4 Cl -0.07162(9) 0.52604(6) 0.25183(6) 0.0278(2) Uani 1 1 d . . .
P1 P -0.11713(9) 0.79108(6) 0.25101(6) 0.0198(2) Uani 1 1 d . . .
C1 C -0.1772(4) 0.8694(3) 0.3259(2) 0.0237(9) Uani 1 1 d . . .
H1A H -0.2451 0.8444 0.3311 0.028 Uiso 1 1 calc R . .
H1B H -0.1280 0.8846 0.3704 0.028 Uiso 1 1 calc R . .
N1 N -0.1980(3) 0.9463(2) 0.31293(18) 0.0232(7) Uani 1 1 d . . .
C2 C -0.2347(4) 0.9432(3) 0.2508(2) 0.0258(9) Uani 1 1 d . . .
H2 H -0.240(4) 0.998(3) 0.249(3) 0.031 Uiso 1 1 d . . .
N2 N -0.2519(3) 0.8757(2) 0.19101(19) 0.0245(7) Uani 1 1 d . . .
C3 C -0.2222(4) 0.7900(2) 0.1821(2) 0.0242(9) Uani 1 1 d . . .
H3A H -0.1971 0.7604 0.1351 0.029 Uiso 1 1 calc R . .
H3B H -0.2864 0.7571 0.1830 0.029 Uiso 1 1 calc R . .
C4 C -0.1604(4) 1.0299(3) 0.3723(2) 0.0280(9) Uani 1 1 d . . .
H4A H -0.1750 1.0766 0.3567 0.034 Uiso 1 1 calc R . .
H4B H -0.0820 1.0306 0.3846 0.034 Uiso 1 1 calc R . .
C5 C -0.2149(4) 1.0459(3) 0.4372(2) 0.0313(10) Uani 1 1 d . . .
C6 C -0.1576(5) 1.0537(3) 0.4997(3) 0.0418(13) Uani 1 1 d . . .
H6 H -0.0826 1.0475 0.5013 0.050 Uiso 1 1 calc R . .
C7 C -0.2049(6) 1.0703(3) 0.5604(3) 0.0487(16) Uani 1 1 d . . .
H7 H -0.1631 1.0760 0.6031 0.058 Uiso 1 1 calc R . .
C8 C -0.3123(6) 1.0784(3) 0.5576(3) 0.0497(16) Uani 1 1 d . . .
H8 H -0.3462 1.0900 0.5989 0.060 Uiso 1 1 calc R . .
C9 C -0.3718(6) 1.0698(4) 0.4960(3) 0.0548(16) Uani 1 1 d . . .
H9 H -0.4470 1.0754 0.4948 0.066 Uiso 1 1 calc R . .
C10 C -0.3244(5) 1.0530(3) 0.4352(3) 0.0412(13) Uani 1 1 d . . .
H10 H -0.3668 1.0463 0.3923 0.049 Uiso 1 1 calc R . .
C11 C -0.3130(4) 0.8834(3) 0.1288(2) 0.0290(10) Uani 1 1 d . . .
H11A H -0.3238 0.9446 0.1402 0.035 Uiso 1 1 calc R . .
H11B H -0.3844 0.8536 0.1188 0.035 Uiso 1 1 calc R . .
C12 C -0.2568(4) 0.8461(3) 0.0634(2) 0.0321(10) Uani 1 1 d . . .
C13 C -0.3104(5) 0.7849(3) 0.0010(3) 0.0403(12) Uani 1 1 d . . .
H13 H -0.3820 0.7664 -0.0002 0.048 Uiso 1 1 calc R . .
C14 C -0.2594(5) 0.7505(4) -0.0602(3) 0.0467(15) Uani 1 1 d . . .
H14 H -0.2963 0.7084 -0.1027 0.056 Uiso 1 1 calc R . .
C15 C -0.1552(5) 0.7777(4) -0.0588(3) 0.0449(14) Uani 1 1 d . . .
H15 H -0.1211 0.7552 -0.1006 0.054 Uiso 1 1 calc R . .
C16 C -0.1010(5) 0.8373(4) 0.0032(3) 0.0507(15) Uani 1 1 d . . .
H16 H -0.0287 0.8545 0.0046 0.061 Uiso 1 1 calc R . .
C17 C -0.1525(5) 0.8727(3) 0.0642(3) 0.0417(13) Uani 1 1 d . . .
H17 H -0.1156 0.9152 0.1064 0.050 Uiso 1 1 calc R . .
P2 P 0.06316(9) 0.70303(6) 0.24970(6) 0.0190(2) Uani 1 1 d . . .
C18 C 0.1275(4) 0.6267(3) 0.1767(2) 0.0248(9) Uani 1 1 d . . .
H18A H 0.0791 0.6101 0.1317 0.030 Uiso 1 1 calc R . .
H18B H 0.1940 0.6540 0.1722 0.030 Uiso 1 1 calc R . .
N3 N 0.1528(3) 0.5505(2) 0.1887(2) 0.0253(8) Uani 1 1 d . . .
C19 C 0.1884(4) 0.5533(3) 0.2516(3) 0.0294(10) Uani 1 1 d . . .
H19 H 0.220(4) 0.499(3) 0.256(3) 0.035 Uiso 1 1 d . . .
N4 N 0.1992(3) 0.6210(2) 0.3122(2) 0.0280(8) Uani 1 1 d . . .
C20 C 0.1647(4) 0.7060(3) 0.3208(2) 0.0255(9) Uani 1 1 d . . .
H20A H 0.2277 0.7418 0.3226 0.031 Uiso 1 1 calc R . .
H20B H 0.1356 0.7334 0.3667 0.031 Uiso 1 1 calc R . .
C21 C 0.1287(4) 0.4654(3) 0.1272(3) 0.0340(11) Uani 1 1 d . . .
H21A H 0.0512 0.4581 0.1102 0.041 Uiso 1 1 calc R . .
H21B H 0.1478 0.4192 0.1426 0.041 Uiso 1 1 calc R . .
C22 C 0.1913(4) 0.4590(3) 0.0675(3) 0.0326(11) Uani 1 1 d . . .
C23 C 0.1377(5) 0.4391(4) -0.0001(3) 0.0483(15) Uani 1 1 d . . .
H23 H 0.0618 0.4318 -0.0078 0.058 Uiso 1 1 calc R . .
C24 C 0.1940(7) 0.4299(4) -0.0563(3) 0.0594(19) Uani 1 1 d . . .
H24 H 0.1567 0.4173 -0.1020 0.071 Uiso 1 1 calc R . .
C25 C 0.3038(6) 0.4390(3) -0.0456(3) 0.0528(17) Uani 1 1 d . . .
H25 H 0.3432 0.4313 -0.0839 0.063 Uiso 1 1 calc R . .
C26 C 0.3546(5) 0.4590(4) 0.0202(3) 0.0529(16) Uani 1 1 d . . .
H26 H 0.4305 0.4668 0.0276 0.064 Uiso 1 1 calc R . .
C27 C 0.3012(5) 0.4687(4) 0.0773(3) 0.0417(13) Uani 1 1 d . . .
H27 H 0.3399 0.4819 0.1227 0.050 Uiso 1 1 calc R . .
C28 C 0.2591(4) 0.6150(3) 0.3750(3) 0.0368(11) Uani 1 1 d . . .
H28A H 0.3206 0.6575 0.3930 0.044 Uiso 1 1 calc R . .
H28B H 0.2876 0.5574 0.3607 0.044 Uiso 1 1 calc R . .
C29 C 0.1913(4) 0.6302(3) 0.4333(3) 0.0354(11) Uani 1 1 d . . .
C30 C 0.2232(5) 0.6948(4) 0.5012(3) 0.0498(15) Uani 1 1 d . . .
H30 H 0.2850 0.7313 0.5099 0.060 Uiso 1 1 calc R . .
C31 C 0.1601(6) 0.7044(4) 0.5575(3) 0.0591(19) Uani 1 1 d . . .
H31 H 0.1820 0.7466 0.6040 0.071 Uiso 1 1 calc R . .
C32 C 0.0714(7) 0.6548(5) 0.5449(4) 0.069(2) Uani 1 1 d . . .
H32 H 0.0307 0.6624 0.5825 0.083 Uiso 1 1 calc R . .
C33 C 0.0385(6) 0.5932(5) 0.4785(4) 0.068(2) Uani 1 1 d . . .
H33 H -0.0254 0.5590 0.4703 0.082 Uiso 1 1 calc R . .
C34 C 0.0980(5) 0.5804(4) 0.4229(3) 0.0467(14) Uani 1 1 d . . .
H34 H 0.0746 0.5371 0.3772 0.056 Uiso 1 1 calc R . .
Pt3 Pt 0.550375(12) 0.161920(9) 0.250884(8) 0.01815(4) Uani 1 1 d . . .
Cl5 Cl 0.73755(8) 0.14387(7) 0.25204(6) 0.0263(2) Uani 1 1 d . . .
Cl6 Cl 0.52202(9) 0.02880(6) 0.25763(6) 0.0277(2) Uani 1 1 d . . .
Pt4 Pt 0.396583(12) 0.333722(9) 0.253186(8) 0.01814(4) Uani 1 1 d . . .
Cl7 Cl 0.42754(9) 0.46794(6) 0.24831(6) 0.0287(2) Uani 1 1 d . . .
Cl8 Cl 0.21085(9) 0.35592(7) 0.25925(6) 0.0278(2) Uani 1 1 d . . .
P3 P 0.56329(9) 0.28964(6) 0.24770(6) 0.0188(2) Uani 1 1 d . . .
C35 C 0.6665(3) 0.3588(3) 0.3173(2) 0.0227(8) Uani 1 1 d . . .
H35A H 0.6398 0.3767 0.3639 0.027 Uiso 1 1 calc R . .
H35B H 0.7307 0.3260 0.3179 0.027 Uiso 1 1 calc R . .
N5 N 0.6967(3) 0.4353(2) 0.30694(19) 0.0238(7) Uani 1 1 d . . .
C36 C 0.6849(4) 0.4417(3) 0.2462(2) 0.0256(9) Uani 1 1 d . . .
H36 H 0.721(4) 0.498(3) 0.251(2) 0.031 Uiso 1 1 d . . .
N6 N 0.6504(3) 0.3803(2) 0.18430(19) 0.0242(7) Uani 1 1 d . . .
C37 C 0.6254(4) 0.2918(2) 0.1733(2) 0.0252(9) Uani 1 1 d . . .
H37A H 0.6920 0.2605 0.1685 0.030 Uiso 1 1 calc R . .
H37B H 0.5762 0.2629 0.1288 0.030 Uiso 1 1 calc R . .
C38 C 0.7511(4) 0.5077(3) 0.3705(2) 0.0324(10) Uani 1 1 d . . .
H38A H 0.7703 0.5544 0.3569 0.039 Uiso 1 1 calc R . .
H38B H 0.8182 0.4885 0.3875 0.039 Uiso 1 1 calc R . .
C39 C 0.6825(4) 0.5421(3) 0.4303(2) 0.0263(9) Uani 1 1 d . . .
C40 C 0.5873(4) 0.5795(4) 0.4229(3) 0.0421(13) Uani 1 1 d . . .
H40 H 0.5628 0.5836 0.3795 0.051 Uiso 1 1 calc R . .
C41 C 0.5278(5) 0.6112(4) 0.4801(3) 0.0593(19) Uani 1 1 d . . .
H41 H 0.4617 0.6359 0.4751 0.071 Uiso 1 1 calc R . .
C42 C 0.5631(5) 0.6074(4) 0.5428(3) 0.0547(18) Uani 1 1 d . . .
H42 H 0.5229 0.6311 0.5817 0.066 Uiso 1 1 calc R . .
C43 C 0.6547(6) 0.5701(4) 0.5502(3) 0.0547(18) Uani 1 1 d . . .
H43 H 0.6776 0.5665 0.5939 0.066 Uiso 1 1 calc R . .
C44 C 0.7168(5) 0.5365(3) 0.4939(3) 0.0418(13) Uani 1 1 d . . .
H44 H 0.7815 0.5103 0.4993 0.050 Uiso 1 1 calc R . .
C45 C 0.6263(5) 0.4014(3) 0.1218(2) 0.0350(11) Uani 1 1 d . . .
H45A H 0.6400 0.4636 0.1369 0.042 Uiso 1 1 calc R . .
H45B H 0.5496 0.3871 0.1031 0.042 Uiso 1 1 calc R . .
C46 C 0.6937(5) 0.3530(3) 0.0634(3) 0.0372(12) Uani 1 1 d . . .
C47 C 0.8040(5) 0.3530(4) 0.0777(3) 0.0491(15) Uani 1 1 d . . .
H47 H 0.8379 0.3819 0.1250 0.059 Uiso 1 1 calc R . .
C48 C 0.8658(6) 0.3104(4) 0.0227(3) 0.0598(18) Uani 1 1 d . . .
H48 H 0.9412 0.3101 0.0327 0.072 Uiso 1 1 calc R . .
C49 C 0.8155(6) 0.2686(4) -0.0466(3) 0.0585(19) Uani 1 1 d . . .
H49 H 0.8570 0.2405 -0.0841 0.070 Uiso 1 1 calc R . .
C50 C 0.7084(6) 0.2680(4) -0.0605(3) 0.0596(18) Uani 1 1 d . . .
H50 H 0.6746 0.2396 -0.1079 0.072 Uiso 1 1 calc R . .
C51 C 0.6469(6) 0.3087(4) -0.0060(3) 0.0528(16) Uani 1 1 d . . .
H51 H 0.5713 0.3061 -0.0166 0.063 Uiso 1 1 calc R . .
P4 P 0.38301(9) 0.20412(6) 0.25302(6) 0.0192(2) Uani 1 1 d . . .
C52 C 0.2820(4) 0.1353(2) 0.1808(2) 0.0234(8) Uani 1 1 d . . .
H52A H 0.2166 0.1671 0.1807 0.028 Uiso 1 1 calc R . .
H52B H 0.3097 0.1203 0.1349 0.028 Uiso 1 1 calc R . .
N7 N 0.2545(3) 0.0566(2) 0.18845(19) 0.0248(8) Uani 1 1 d . . .
C53 C 0.2633(4) 0.0498(3) 0.2495(2) 0.0252(9) Uani 1 1 d . . .
H53 H 0.225(4) -0.007(3) 0.248(2) 0.030 Uiso 1 1 d . . .
N8 N 0.2916(3) 0.1103(2) 0.31201(18) 0.0224(7) Uani 1 1 d . . .
C54 C 0.3165(4) 0.1995(2) 0.3253(2) 0.0226(8) Uani 1 1 d . . .
H54A H 0.3638 0.2278 0.3707 0.027 Uiso 1 1 calc R . .
H54B H 0.2497 0.2304 0.3290 0.027 Uiso 1 1 calc R . .
C55 C 0.2023(4) -0.0161(3) 0.1238(2) 0.0340(11) Uani 1 1 d . . .
H55A H 0.1309 -0.0002 0.1096 0.041 Uiso 1 1 calc R . .
H55B H 0.1920 -0.0663 0.1350 0.041 Uiso 1 1 calc R . .
C56 C 0.2685(4) -0.0402(3) 0.0625(2) 0.0325(11) Uani 1 1 d . . .
C57 C 0.3767(5) -0.0590(3) 0.0709(3) 0.0461(14) Uani 1 1 d . . .
H57 H 0.4095 -0.0570 0.1149 0.055 Uiso 1 1 calc R . .
C58 C 0.4347(6) -0.0804(4) 0.0137(3) 0.0524(16) Uani 1 1 d . . .
H58 H 0.5076 -0.0931 0.0191 0.063 Uiso 1 1 calc R . .
C59 C 0.3886(7) -0.0837(3) -0.0507(3) 0.060(2) Uani 1 1 d . . .
H59 H 0.4298 -0.0973 -0.0891 0.071 Uiso 1 1 calc R . .
C60 C 0.2807(6) -0.0667(4) -0.0590(3) 0.0538(17) Uani 1 1 d . . .
H60 H 0.2473 -0.0707 -0.1036 0.065 Uiso 1 1 calc R . .
C61 C 0.2229(5) -0.0441(3) -0.0021(3) 0.0450(14) Uani 1 1 d . . .
H61 H 0.1502 -0.0309 -0.0076 0.054 Uiso 1 1 calc R . .
C62 C 0.3121(4) 0.0869(3) 0.3734(2) 0.0307(10) Uani 1 1 d . . .
H62A H 0.3894 0.0960 0.3910 0.037 Uiso 1 1 calc R . .
H62B H 0.2920 0.0254 0.3577 0.037 Uiso 1 1 calc R . .
C63 C 0.2493(4) 0.1392(3) 0.4333(2) 0.0297(10) Uani 1 1 d . . .
C64 C 0.1388(4) 0.1381(3) 0.4223(3) 0.0338(11) Uani 1 1 d . . .
H64 H 0.1011 0.1054 0.3767 0.041 Uiso 1 1 calc R . .
C65 C 0.0842(5) 0.1848(4) 0.4779(3) 0.0444(13) Uani 1 1 d . . .
H65 H 0.0083 0.1840 0.4702 0.053 Uiso 1 1 calc R . .
C66 C 0.1369(5) 0.2332(4) 0.5449(3) 0.0483(15) Uani 1 1 d . . .
H66 H 0.0976 0.2653 0.5826 0.058 Uiso 1 1 calc R . .
C67 C 0.2484(6) 0.2342(4) 0.5564(3) 0.0507(15) Uani 1 1 d . . .
H67 H 0.2854 0.2664 0.6024 0.061 Uiso 1 1 calc R . .
C68 C 0.3051(5) 0.1880(3) 0.5008(3) 0.0401(12) Uani 1 1 d . . .
H68 H 0.3811 0.1893 0.5081 0.048 Uiso 1 1 calc R . .
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'
Cl Cl 0.1484 0.1585 '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
P2 Pt1 P1 75.57(4) . . ?
P2 Pt1 Cl2 92.94(4) . . ?
P1 Pt1 Cl2 168.44(4) . . ?
P2 Pt1 Cl1 175.29(4) . . ?
P1 Pt1 Cl1 99.73(4) . . ?
Cl2 Pt1 Cl1 91.75(4) . . ?
P1 Pt2 P2 75.58(4) . . ?
P1 Pt2 Cl4 174.26(4) . . ?
P2 Pt2 Cl4 98.71(4) . . ?
P1 Pt2 Cl3 93.54(4) . . ?
P2 Pt2 Cl3 168.82(4) . . ?
Cl4 Pt2 Cl3 92.13(4) . . ?
C3 P1 C1 95.8(2) . . ?
C3 P1 Pt2 111.45(13) . . ?
C1 P1 Pt2 114.49(13) . . ?
C3 P1 Pt1 117.70(15) . . ?
C1 P1 Pt1 113.50(15) . . ?
Pt2 P1 Pt1 104.29(4) . . ?
N1 C1 P1 109.1(3) . . ?
C2 N1 C1 122.9(4) . . ?
C2 N1 C4 120.1(4) . . ?
C1 N1 C4 116.4(3) . . ?
N1 C2 N2 127.6(4) . . ?
C2 N2 C3 124.0(4) . . ?
C2 N2 C11 119.0(4) . . ?
C3 N2 C11 116.8(3) . . ?
N2 C3 P1 112.9(3) . . ?
N1 C4 C5 111.7(4) . . ?
C6 C5 C10 118.1(5) . . ?
C6 C5 C4 121.1(5) . . ?
C10 C5 C4 120.8(4) . . ?
C5 C6 C7 122.4(6) . . ?
C8 C7 C6 118.6(6) . . ?
C7 C8 C9 120.4(6) . . ?
C8 C9 C10 120.9(6) . . ?
C5 C10 C9 119.5(5) . . ?
N2 C11 C12 112.4(4) . . ?
C17 C12 C13 119.1(5) . . ?
C17 C12 C11 121.0(4) . . ?
C13 C12 C11 119.8(5) . . ?
C12 C13 C14 120.4(6) . . ?
C15 C14 C13 120.0(5) . . ?
C16 C15 C14 119.9(5) . . ?
C15 C16 C17 120.0(6) . . ?
C12 C17 C16 120.5(5) . . ?
C20 P2 C18 96.3(2) . . ?
C20 P2 Pt1 112.16(14) . . ?
C18 P2 Pt1 112.74(13) . . ?
C20 P2 Pt2 117.50(15) . . ?
C18 P2 Pt2 113.90(15) . . ?
Pt1 P2 Pt2 104.51(4) . . ?
N3 C18 P2 110.8(3) . . ?
C19 N3 C18 123.1(4) . . ?
C19 N3 C21 119.2(4) . . ?
C18 N3 C21 117.5(4) . . ?
N4 C19 N3 126.7(4) . . ?
C19 N4 C20 124.3(4) . . ?
C19 N4 C28 118.8(4) . . ?
C20 N4 C28 116.6(4) . . ?
N4 C20 P2 113.3(3) . . ?
N3 C21 C22 110.4(4) . . ?
C27 C22 C23 118.6(5) . . ?
C27 C22 C21 121.5(5) . . ?
C23 C22 C21 119.8(5) . . ?
C24 C23 C22 120.7(6) . . ?
C25 C24 C23 119.8(6) . . ?
C26 C25 C24 118.8(6) . . ?
C25 C26 C27 122.9(7) . . ?
C22 C27 C26 119.1(6) . . ?
N4 C28 C29 112.6(4) . . ?
C34 C29 C30 118.3(6) . . ?
C34 C29 C28 121.9(5) . . ?
C30 C29 C28 119.8(5) . . ?
C29 C30 C31 118.6(6) . . ?
C32 C31 C30 120.8(6) . . ?
C31 C32 C33 120.9(7) . . ?
C32 C33 C34 120.3(7) . . ?
C33 C34 C29 121.1(6) . . ?
P3 Pt3 P4 75.74(4) . . ?
P3 Pt3 Cl6 175.09(4) . . ?
P4 Pt3 Cl6 99.55(4) . . ?
P3 Pt3 Cl5 93.59(4) . . ?
P4 Pt3 Cl5 169.17(4) . . ?
Cl6 Pt3 Cl5 91.07(4) . . ?
P4 Pt4 P3 75.62(4) . . ?
P4 Pt4 Cl7 174.19(4) . . ?
P3 Pt4 Cl7 98.93(4) . . ?
P4 Pt4 Cl8 93.81(4) . . ?
P3 Pt4 Cl8 169.43(4) . . ?
Cl7 Pt4 Cl8 91.63(4) . . ?
C37 P3 C35 96.1(2) . . ?
C37 P3 Pt3 115.19(13) . . ?
C35 P3 Pt3 110.41(14) . . ?
C37 P3 Pt4 114.52(16) . . ?
C35 P3 Pt4 116.67(14) . . ?
Pt3 P3 Pt4 104.30(4) . . ?
N5 C35 P3 112.5(3) . . ?
C36 N5 C35 125.0(4) . . ?
C36 N5 C38 118.8(4) . . ?
C35 N5 C38 116.1(3) . . ?
N5 C36 N6 126.1(4) . . ?
C36 N6 C37 123.9(4) . . ?
C36 N6 C45 119.1(3) . . ?
C37 N6 C45 116.8(3) . . ?
N6 C37 P3 110.4(3) . . ?
N5 C38 C39 112.8(4) . . ?
C40 C39 C44 119.7(5) . . ?
C40 C39 C38 121.3(4) . . ?
C44 C39 C38 118.9(5) . . ?
C39 C40 C41 119.0(5) . . ?
C42 C41 C40 121.0(6) . . ?
C43 C42 C41 120.4(6) . . ?
C42 C43 C44 120.7(6) . . ?
C39 C44 C43 119.2(6) . . ?
N6 C45 C46 111.9(4) . . ?
C51 C46 C47 118.1(5) . . ?
C51 C46 C45 120.8(6) . . ?
C47 C46 C45 121.0(5) . . ?
C46 C47 C48 120.4(6) . . ?
C49 C48 C47 119.4(7) . . ?
C50 C49 C48 120.2(6) . . ?
C49 C50 C51 120.4(6) . . ?
C46 C51 C50 121.3(7) . . ?
C54 P4 C52 96.04(19) . . ?
C54 P4 Pt4 114.67(13) . . ?
C52 P4 Pt4 110.57(13) . . ?
C54 P4 Pt3 114.52(15) . . ?
C52 P4 Pt3 117.13(15) . . ?
Pt4 P4 Pt3 104.30(4) . . ?
N7 C52 P4 111.8(3) . . ?
C53 N7 C52 123.9(4) . . ?
C53 N7 C55 118.7(4) . . ?
C52 N7 C55 116.9(3) . . ?
N8 C53 N7 127.0(4) . . ?
C53 N8 C54 124.1(4) . . ?
C53 N8 C62 118.5(3) . . ?
C54 N8 C62 117.1(3) . . ?
N8 C54 P4 110.1(3) . . ?
N7 C55 C56 111.8(4) . . ?
C61 C56 C57 119.3(5) . . ?
C61 C56 C55 120.1(5) . . ?
C57 C56 C55 120.7(5) . . ?
C58 C57 C56 119.0(6) . . ?
C59 C58 C57 121.4(7) . . ?
C58 C59 C60 119.3(6) . . ?
C61 C60 C59 119.7(6) . . ?
C56 C61 C60 121.4(6) . . ?
N8 C62 C63 111.9(4) . . ?
C64 C63 C68 120.4(5) . . ?
C64 C63 C62 120.7(4) . . ?
C68 C63 C62 118.9(5) . . ?
C65 C64 C63 119.3(5) . . ?
C64 C65 C66 121.6(6) . . ?
C65 C66 C67 119.3(5) . . ?
C68 C67 C66 119.9(5) . . ?
C67 C68 C63 119.4(6) . . ?
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
Pt1 P2 2.2235(10) . ?
Pt1 P1 2.2316(11) . ?
Pt1 Cl2 2.3721(10) . ?
Pt1 Cl1 2.3752(10) . ?
Pt2 P1 2.2266(10) . ?
Pt2 P2 2.2279(11) . ?
Pt2 Cl4 2.3716(10) . ?
Pt2 Cl3 2.3825(11) . ?
P1 C3 1.834(4) . ?
P1 C1 1.836(4) . ?
C1 N1 1.472(5) . ?
N1 C2 1.302(5) . ?
N1 C4 1.490(5) . ?
C2 N2 1.303(5) . ?
N2 C3 1.460(5) . ?
N2 C11 1.485(5) . ?
C4 C5 1.512(6) . ?
C5 C6 1.369(7) . ?
C5 C10 1.382(8) . ?
C6 C7 1.382(8) . ?
C7 C8 1.358(9) . ?
C8 C9 1.362(8) . ?
C9 C10 1.386(8) . ?
C11 C12 1.508(6) . ?
C12 C17 1.386(8) . ?
C12 C13 1.387(7) . ?
C13 C14 1.398(7) . ?
C14 C15 1.386(8) . ?
C15 C16 1.376(8) . ?
C16 C17 1.401(7) . ?
P2 C20 1.828(4) . ?
P2 C18 1.828(4) . ?
C18 N3 1.458(5) . ?
N3 C19 1.316(6) . ?
N3 C21 1.498(5) . ?
C19 N4 1.312(6) . ?
N4 C20 1.468(5) . ?
N4 C28 1.477(6) . ?
C21 C22 1.514(7) . ?
C22 C27 1.376(7) . ?
C22 C23 1.393(7) . ?
C23 C24 1.393(9) . ?
C24 C25 1.373(10) . ?
C25 C26 1.349(8) . ?
C26 C27 1.384(7) . ?
C28 C29 1.500(7) . ?
C29 C34 1.393(8) . ?
C29 C30 1.406(7) . ?
C30 C31 1.443(9) . ?
C31 C32 1.337(10) . ?
C32 C33 1.368(10) . ?
C33 C34 1.392(8) . ?
Pt3 P3 2.2250(10) . ?
Pt3 P4 2.2314(11) . ?
Pt3 Cl6 2.3729(10) . ?
Pt3 Cl5 2.3782(11) . ?
Pt4 P4 2.2279(10) . ?
Pt4 P3 2.2344(11) . ?
Pt4 Cl7 2.3785(10) . ?
Pt4 Cl8 2.3813(11) . ?
P3 C37 1.828(4) . ?
P3 C35 1.831(4) . ?
C35 N5 1.468(5) . ?
N5 C36 1.306(5) . ?
N5 C38 1.486(5) . ?
C36 N6 1.312(5) . ?
N6 C37 1.466(5) . ?
N6 C45 1.487(5) . ?
C38 C39 1.513(6) . ?
C39 C40 1.386(7) . ?
C39 C44 1.387(6) . ?
C40 C41 1.397(8) . ?
C41 C42 1.360(9) . ?
C42 C43 1.345(9) . ?
C43 C44 1.407(8) . ?
C45 C46 1.518(7) . ?
C46 C51 1.386(7) . ?
C46 C47 1.387(8) . ?
C47 C48 1.405(8) . ?
C48 C49 1.393(9) . ?
C49 C50 1.348(10) . ?
C50 C51 1.389(8) . ?
P4 C54 1.831(4) . ?
P4 C52 1.838(4) . ?
C52 N7 1.467(5) . ?
N7 C53 1.315(5) . ?
N7 C55 1.489(5) . ?
C53 N8 1.299(5) . ?
N8 C54 1.465(5) . ?
N8 C62 1.487(5) . ?
C55 C56 1.520(7) . ?
C56 C61 1.377(7) . ?
C56 C57 1.410(8) . ?
C57 C58 1.388(8) . ?
C58 C59 1.379(9) . ?
C59 C60 1.398(10) . ?
C60 C61 1.380(8) . ?
C62 C63 1.517(6) . ?
C63 C64 1.384(7) . ?
C63 C68 1.407(7) . ?
C64 C65 1.372(7) . ?
C65 C66 1.384(8) . ?
C66 C67 1.397(9) . ?
C67 C68 1.387(8) . ?
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
P2 Pt2 P1 C3 129.67(16) . . . . ?
Cl3 Pt2 P1 C3 -47.71(16) . . . . ?
P2 Pt2 P1 C1 -122.92(17) . . . . ?
Cl3 Pt2 P1 C1 59.70(17) . . . . ?
P2 Pt2 P1 Pt1 1.69(4) . . . . ?
Cl3 Pt2 P1 Pt1 -175.69(4) . . . . ?
P2 Pt1 P1 C3 -125.73(15) . . . . ?
Cl2 Pt1 P1 C3 -132.4(2) . . . . ?
Cl1 Pt1 P1 C3 54.50(15) . . . . ?
P2 Pt1 P1 C1 123.55(15) . . . . ?
Cl2 Pt1 P1 C1 116.9(2) . . . . ?
Cl1 Pt1 P1 C1 -56.21(15) . . . . ?
P2 Pt1 P1 Pt2 -1.69(4) . . . . ?
Cl2 Pt1 P1 Pt2 -8.4(2) . . . . ?
Cl1 Pt1 P1 Pt2 178.54(4) . . . . ?
C3 P1 C1 N1 -53.8(3) . . . . ?
Pt2 P1 C1 N1 -170.6(2) . . . . ?
Pt1 P1 C1 N1 69.9(3) . . . . ?
P1 C1 N1 C2 40.3(5) . . . . ?
P1 C1 N1 C4 -131.2(3) . . . . ?
C1 N1 C2 N2 -4.9(7) . . . . ?
C4 N1 C2 N2 166.3(5) . . . . ?
N1 C2 N2 C3 -6.3(8) . . . . ?
N1 C2 N2 C11 168.5(5) . . . . ?
C2 N2 C3 P1 -21.3(6) . . . . ?
C11 N2 C3 P1 163.7(3) . . . . ?
C1 P1 C3 N2 46.2(3) . . . . ?
Pt2 P1 C3 N2 165.4(3) . . . . ?
Pt1 P1 C3 N2 -74.2(3) . . . . ?
C2 N1 C4 C5 126.2(4) . . . . ?
C1 N1 C4 C5 -62.0(5) . . . . ?
N1 C4 C5 C6 117.3(5) . . . . ?
N1 C4 C5 C10 -62.6(6) . . . . ?
C10 C5 C6 C7 -1.7(8) . . . . ?
C4 C5 C6 C7 178.5(5) . . . . ?
C5 C6 C7 C8 0.7(8) . . . . ?
C6 C7 C8 C9 0.3(9) . . . . ?
C7 C8 C9 C10 -0.2(10) . . . . ?
C6 C5 C10 C9 1.8(8) . . . . ?
C4 C5 C10 C9 -178.4(5) . . . . ?
C8 C9 C10 C5 -0.9(9) . . . . ?
C2 N2 C11 C12 130.0(4) . . . . ?
C3 N2 C11 C12 -54.8(5) . . . . ?
N2 C11 C12 C17 -54.8(6) . . . . ?
N2 C11 C12 C13 126.1(5) . . . . ?
C17 C12 C13 C14 0.2(7) . . . . ?
C11 C12 C13 C14 179.4(4) . . . . ?
C12 C13 C14 C15 -0.4(8) . . . . ?
C13 C14 C15 C16 1.4(8) . . . . ?
C14 C15 C16 C17 -2.2(9) . . . . ?
C13 C12 C17 C16 -1.1(8) . . . . ?
C11 C12 C17 C16 179.8(5) . . . . ?
C15 C16 C17 C12 2.1(9) . . . . ?
P1 Pt1 P2 C20 -126.66(17) . . . . ?
Cl2 Pt1 P2 C20 52.00(16) . . . . ?
P1 Pt1 P2 C18 125.90(17) . . . . ?
Cl2 Pt1 P2 C18 -55.43(17) . . . . ?
P1 Pt1 P2 Pt2 1.69(4) . . . . ?
Cl2 Pt1 P2 Pt2 -179.65(4) . . . . ?
P1 Pt2 P2 C20 123.34(16) . . . . ?
Cl4 Pt2 P2 C20 -57.26(16) . . . . ?
Cl3 Pt2 P2 C20 137.0(2) . . . . ?
P1 Pt2 P2 C18 -125.17(15) . . . . ?
Cl4 Pt2 P2 C18 54.23(15) . . . . ?
Cl3 Pt2 P2 C18 -111.5(2) . . . . ?
P1 Pt2 P2 Pt1 -1.70(4) . . . . ?
Cl4 Pt2 P2 Pt1 177.70(4) . . . . ?
Cl3 Pt2 P2 Pt1 11.9(2) . . . . ?
C20 P2 C18 N3 52.1(3) . . . . ?
Pt1 P2 C18 N3 169.3(3) . . . . ?
Pt2 P2 C18 N3 -71.8(3) . . . . ?
P2 C18 N3 C19 -38.9(5) . . . . ?
P2 C18 N3 C21 136.2(3) . . . . ?
C18 N3 C19 N4 5.2(8) . . . . ?
C21 N3 C19 N4 -169.9(5) . . . . ?
N3 C19 N4 C20 5.1(8) . . . . ?
N3 C19 N4 C28 -168.7(5) . . . . ?
C19 N4 C20 P2 21.3(6) . . . . ?
C28 N4 C20 P2 -164.9(3) . . . . ?
C18 P2 C20 N4 -44.5(3) . . . . ?
Pt1 P2 C20 N4 -162.2(3) . . . . ?
Pt2 P2 C20 N4 76.7(3) . . . . ?
C19 N3 C21 C22 -124.0(5) . . . . ?
C18 N3 C21 C22 60.6(5) . . . . ?
N3 C21 C22 C27 57.9(6) . . . . ?
N3 C21 C22 C23 -125.0(5) . . . . ?
C27 C22 C23 C24 -0.5(8) . . . . ?
C21 C22 C23 C24 -177.6(5) . . . . ?
C22 C23 C24 C25 1.1(9) . . . . ?
C23 C24 C25 C26 -1.7(9) . . . . ?
C24 C25 C26 C27 1.7(9) . . . . ?
C23 C22 C27 C26 0.4(8) . . . . ?
C21 C22 C27 C26 177.6(5) . . . . ?
C25 C26 C27 C22 -1.1(9) . . . . ?
C19 N4 C28 C29 -118.1(5) . . . . ?
C20 N4 C28 C29 67.6(6) . . . . ?
N4 C28 C29 C34 58.0(6) . . . . ?
N4 C28 C29 C30 -123.8(5) . . . . ?
C34 C29 C30 C31 2.2(7) . . . . ?
C28 C29 C30 C31 -176.1(5) . . . . ?
C29 C30 C31 C32 -2.0(9) . . . . ?
C30 C31 C32 C33 0.4(10) . . . . ?
C31 C32 C33 C34 0.9(11) . . . . ?
C32 C33 C34 C29 -0.6(10) . . . . ?
C30 C29 C34 C33 -0.9(8) . . . . ?
C28 C29 C34 C33 177.3(5) . . . . ?
P4 Pt3 P3 C37 -124.70(18) . . . . ?
Cl5 Pt3 P3 C37 57.19(18) . . . . ?
P4 Pt3 P3 C35 127.77(16) . . . . ?
Cl5 Pt3 P3 C35 -50.34(16) . . . . ?
P4 Pt3 P3 Pt4 1.67(4) . . . . ?
Cl5 Pt3 P3 Pt4 -176.44(4) . . . . ?
P4 Pt4 P3 C37 125.12(15) . . . . ?
Cl7 Pt4 P3 C37 -52.82(15) . . . . ?
Cl8 Pt4 P3 C37 125.3(2) . . . . ?
P4 Pt4 P3 C35 -123.74(15) . . . . ?
Cl7 Pt4 P3 C35 58.33(15) . . . . ?
Cl8 Pt4 P3 C35 -123.6(2) . . . . ?
P4 Pt4 P3 Pt3 -1.68(4) . . . . ?
Cl7 Pt4 P3 Pt3 -179.61(4) . . . . ?
Cl8 Pt4 P3 Pt3 -1.5(2) . . . . ?
C37 P3 C35 N5 46.2(3) . . . . ?
Pt3 P3 C35 N5 166.0(2) . . . . ?
Pt4 P3 C35 N5 -75.2(3) . . . . ?
P3 C35 N5 C36 -23.6(5) . . . . ?
P3 C35 N5 C38 160.6(3) . . . . ?
C35 N5 C36 N6 -4.1(7) . . . . ?
C38 N5 C36 N6 171.6(4) . . . . ?
N5 C36 N6 C37 -4.0(7) . . . . ?
N5 C36 N6 C45 171.0(4) . . . . ?
C36 N6 C37 P3 37.6(5) . . . . ?
C45 N6 C37 P3 -137.5(4) . . . . ?
C35 P3 C37 N6 -52.1(3) . . . . ?
Pt3 P3 C37 N6 -168.1(2) . . . . ?
Pt4 P3 C37 N6 71.0(3) . . . . ?
C36 N5 C38 C39 122.8(5) . . . . ?
C35 N5 C38 C39 -61.1(5) . . . . ?
N5 C38 C39 C40 -63.8(6) . . . . ?
N5 C38 C39 C44 116.9(5) . . . . ?
C44 C39 C40 C41 0.2(8) . . . . ?
C38 C39 C40 C41 -179.1(5) . . . . ?
C39 C40 C41 C42 1.4(9) . . . . ?
C40 C41 C42 C43 -2.3(10) . . . . ?
C41 C42 C43 C44 1.6(10) . . . . ?
C40 C39 C44 C43 -0.8(8) . . . . ?
C38 C39 C44 C43 178.5(5) . . . . ?
C42 C43 C44 C39 0.0(9) . . . . ?
C36 N6 C45 C46 120.4(5) . . . . ?
C37 N6 C45 C46 -64.3(5) . . . . ?
N6 C45 C46 C51 130.4(5) . . . . ?
N6 C45 C46 C47 -50.8(6) . . . . ?
C51 C46 C47 C48 1.2(8) . . . . ?
C45 C46 C47 C48 -177.7(5) . . . . ?
C46 C47 C48 C49 0.5(9) . . . . ?
C47 C48 C49 C50 -1.0(10) . . . . ?
C48 C49 C50 C51 -0.3(10) . . . . ?
C47 C46 C51 C50 -2.4(9) . . . . ?
C45 C46 C51 C50 176.5(5) . . . . ?
C49 C50 C51 C46 2.0(10) . . . . ?
P3 Pt4 P4 C54 127.71(17) . . . . ?
Cl8 Pt4 P4 C54 -52.25(17) . . . . ?
P3 Pt4 P4 C52 -125.07(16) . . . . ?
Cl8 Pt4 P4 C52 54.96(16) . . . . ?
P3 Pt4 P4 Pt3 1.67(4) . . . . ?
Cl8 Pt4 P4 Pt3 -178.29(4) . . . . ?
P3 Pt3 P4 C54 -127.81(14) . . . . ?
Cl6 Pt3 P4 C54 50.75(14) . . . . ?
Cl5 Pt3 P4 C54 -117.7(2) . . . . ?
P3 Pt3 P4 C52 120.86(15) . . . . ?
Cl6 Pt3 P4 C52 -60.57(15) . . . . ?
Cl5 Pt3 P4 C52 131.0(2) . . . . ?
P3 Pt3 P4 Pt4 -1.68(4) . . . . ?
Cl6 Pt3 P4 Pt4 176.89(4) . . . . ?
Cl5 Pt3 P4 Pt4 8.4(2) . . . . ?
C54 P4 C52 N7 -48.5(3) . . . . ?
Pt4 P4 C52 N7 -167.7(3) . . . . ?
Pt3 P4 C52 N7 73.1(3) . . . . ?
P4 C52 N7 C53 26.3(5) . . . . ?
P4 C52 N7 C55 -160.9(3) . . . . ?
C52 N7 C53 N8 3.7(7) . . . . ?
C55 N7 C53 N8 -169.1(5) . . . . ?
N7 C53 N8 C54 1.7(7) . . . . ?
N7 C53 N8 C62 -171.1(4) . . . . ?
C53 N8 C54 P4 -35.4(5) . . . . ?
C62 N8 C54 P4 137.5(3) . . . . ?
C52 P4 C54 N8 52.1(3) . . . . ?
Pt4 P4 C54 N8 168.1(2) . . . . ?
Pt3 P4 C54 N8 -71.4(3) . . . . ?
C53 N7 C55 C56 -131.3(5) . . . . ?
C52 N7 C55 C56 55.4(6) . . . . ?
N7 C55 C56 C61 -126.3(5) . . . . ?
N7 C55 C56 C57 53.9(6) . . . . ?
C61 C56 C57 C58 0.4(8) . . . . ?
C55 C56 C57 C58 -179.8(5) . . . . ?
C56 C57 C58 C59 0.0(9) . . . . ?
C57 C58 C59 C60 -1.3(9) . . . . ?
C58 C59 C60 C61 2.2(9) . . . . ?
C57 C56 C61 C60 0.6(8) . . . . ?
C55 C56 C61 C60 -179.2(5) . . . . ?
C59 C60 C61 C56 -1.9(9) . . . . ?
C53 N8 C62 C63 -127.8(4) . . . . ?
C54 N8 C62 C63 58.9(5) . . . . ?
N8 C62 C63 C64 58.4(6) . . . . ?
N8 C62 C63 C68 -122.6(5) . . . . ?
C68 C63 C64 C65 -0.3(7) . . . . ?
C62 C63 C64 C65 178.7(4) . . . . ?
C63 C64 C65 C66 0.1(8) . . . . ?
C64 C65 C66 C67 -0.4(9) . . . . ?
C65 C66 C67 C68 1.0(9) . . . . ?
C66 C67 C68 C63 -1.2(8) . . . . ?
C64 C63 C68 C67 0.8(7) . . . . ?
C62 C63 C68 C67 -178.2(5) . . . . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.030 0.226 0.223 116 31 ' '
2 0.030 0.774 0.777 116 31 ' '
3 0.487 0.749 0.264 130 31 ' '
4 0.513 0.251 0.736 130 31 ' '
5 0.467 0.786 0.565 7 1 ' '
6 0.533 0.214 0.435 7 1 ' '
