#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:11:17 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179680 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/02/7000235.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_7000235
loop_
_publ_author_name
'Domańska-Babul, Wioleta'
'Chojnacki, Jaroslaw'
'Matern, Eberhard'
'Pikies, Jerzy'
_publ_section_title
;
 Reactions of R2P--P(SiMe3)Li with [(R′3P)2PtCl2]. A general and
 efficient entry to phosphanylphosphinidene complexes of platinum.
 Syntheses and structures of [(η2-PPiPr2)Pt(p-Tol3P)2],
 [(η2-PPtBu2)Pt(p-Tol3P)2],
 [{η2-PP(NiPr2)2}Pt(p-Tol3P)2] and [{(Et2PhP)2Pt}2P2]
;
_journal_issue                   1
_journal_name_full               'Dalton Transactions'
_journal_page_first              146
_journal_page_last               151
_journal_paper_doi               10.1039/b807811d
_journal_year                    2009
_chemical_formula_moiety         'C54 H70 N2 P4 Pt, C7 H8'
_chemical_formula_sum            'C61 H78 N2 P4 Pt'
_chemical_formula_weight         1158.22
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-11-30T11:57:52-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 125.737(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.336(3)
_cell_length_b                   24.002(5)
_cell_length_c                   18.974(7)
_cell_measurement_reflns_used    14431
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     5669(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'κ geometry, 4 circle diffractometer'
_diffrn_measurement_device_type  'KM4 CCD'
_diffrn_measurement_method       'ω--scans 0.75°, 612 frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0296
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            41630
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.74
_exptl_absorpt_coefficient_mu    2.627
_exptl_absorpt_correction_T_max  0.614
_exptl_absorpt_correction_T_min  0.53879
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
; CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.29.9 (release 23-03-2006 CrysAlis171 .NET)
(compiled Mar 23 2006,23:39:28)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_refine_diff_density_max         3.245
_refine_diff_density_min         -0.937
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         13012
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0229P)²+19.0456P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                12026
_reflns_number_total             13012
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b807811d.txt
_cod_data_source_block           compound_13
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7000235
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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
N1 N 0.2838(2) 0.30765(10) 0.49684(16) 0.0136(5) Uani 1 1 d . . .
N2 N 0.3490(2) 0.27117(11) 0.40443(17) 0.0169(5) Uani 1 1 d . . .
P1 P 0.23504(6) 0.27763(3) 0.39844(5) 0.01331(14) Uani 1 1 d . . .
P2 P 0.12042(6) 0.21580(3) 0.34588(5) 0.01623(15) Uani 1 1 d . . .
P3 P -0.10662(6) 0.28134(3) 0.18132(5) 0.01356(14) Uani 1 1 d . . .
P4 P 0.06385(6) 0.39325(3) 0.22771(5) 0.01359(14) Uani 1 1 d . . .
Pt1 Pt 0.071788(8) 0.306162(4) 0.278794(7) 0.01181(4) Uani 1 1 d . . .
C1 C 0.1452(3) 0.31613(16) 0.5295(2) 0.0254(7) Uani 1 1 d . . .
H1A H 0.119 0.2798 0.5011 0.038 Uiso 1 1 calc R . .
H1B H 0.0841 0.3395 0.5141 0.038 Uiso 1 1 calc R . .
H1C H 0.1926 0.311 0.5926 0.038 Uiso 1 1 calc R . .
C2 C 0.2077(3) 0.34440(14) 0.4992(2) 0.0186(6) Uani 1 1 d . . .
H2 H 0.1524 0.3555 0.4375 0.022 Uiso 1 1 calc R . .
C3 C 0.2583(3) 0.39906(14) 0.5486(2) 0.0241(7) Uani 1 1 d . . .
H3A H 0.2977 0.3923 0.6111 0.036 Uiso 1 1 calc R . .
H3B H 0.2016 0.4266 0.5303 0.036 Uiso 1 1 calc R . .
H3C H 0.3078 0.4132 0.536 0.036 Uiso 1 1 calc R . .
C4 C 0.3249(3) 0.22206(15) 0.5916(2) 0.0236(7) Uani 1 1 d . . .
H4A H 0.2891 0.2331 0.6186 0.035 Uiso 1 1 calc R . .
H4B H 0.3851 0.1972 0.631 0.035 Uiso 1 1 calc R . .
H4C H 0.2736 0.2026 0.5369 0.035 Uiso 1 1 calc R . .
C5 C 0.3669(3) 0.27397(14) 0.5735(2) 0.0207(6) Uani 1 1 d . . .
H5 H 0.4156 0.2597 0.5587 0.025 Uiso 1 1 calc R . .
C6 C 0.4381(3) 0.30862(15) 0.6552(2) 0.0254(7) Uani 1 1 d . . .
H6A H 0.4641 0.3414 0.6418 0.038 Uiso 1 1 calc R . .
H6B H 0.4995 0.2862 0.6997 0.038 Uiso 1 1 calc R . .
H6C H 0.3967 0.3207 0.6769 0.038 Uiso 1 1 calc R . .
C7 C 0.3036(3) 0.20646(16) 0.2823(2) 0.0298(8) Uani 1 1 d . . .
H7A H 0.2332 0.1965 0.2685 0.045 Uiso 1 1 calc R . .
H7B H 0.3325 0.1748 0.2695 0.045 Uiso 1 1 calc R . .
H7C H 0.2958 0.2386 0.2471 0.045 Uiso 1 1 calc R . .
C8 C 0.3800(3) 0.22128(14) 0.3782(2) 0.0233(7) Uani 1 1 d . . .
H8 H 0.4503 0.2304 0.3887 0.028 Uiso 1 1 calc R . .
C9 C 0.4012(3) 0.17184(15) 0.4357(3) 0.0296(8) Uani 1 1 d . . .
H9A H 0.4605 0.1806 0.4958 0.044 Uiso 1 1 calc R . .
H9B H 0.4202 0.1394 0.4159 0.044 Uiso 1 1 calc R . .
H9C H 0.3364 0.1635 0.4327 0.044 Uiso 1 1 calc R . .
C10 C 0.3837(3) 0.34004(16) 0.3229(2) 0.0284(8) Uani 1 1 d . . .
H10A H 0.4199 0.3132 0.3092 0.043 Uiso 1 1 calc R . .
H10B H 0.4128 0.3774 0.3283 0.043 Uiso 1 1 calc R . .
H10C H 0.3064 0.3399 0.2764 0.043 Uiso 1 1 calc R . .
C11 C 0.4022(2) 0.32368(15) 0.4090(2) 0.0200(6) Uani 1 1 d . . .
H11 H 0.3693 0.3538 0.4228 0.024 Uiso 1 1 calc R . .
C12 C 0.5219(3) 0.32353(17) 0.4823(3) 0.0299(8) Uani 1 1 d . . .
H12A H 0.5322 0.3164 0.5376 0.045 Uiso 1 1 calc R . .
H12B H 0.5529 0.3598 0.4848 0.045 Uiso 1 1 calc R . .
H12C H 0.5575 0.2943 0.4717 0.045 Uiso 1 1 calc R . .
C13 C -0.1797(2) 0.28296(13) 0.2312(2) 0.0147(6) Uani 1 1 d . . .
C14 C -0.1227(2) 0.28487(14) 0.3209(2) 0.0185(6) Uani 1 1 d . . .
H14 H -0.0468 0.2807 0.356 0.022 Uiso 1 1 calc R . .
C15 C -0.1751(3) 0.29284(14) 0.3606(2) 0.0208(6) Uani 1 1 d . . .
H15 H -0.1344 0.2935 0.4222 0.025 Uiso 1 1 calc R . .
C16 C -0.2863(3) 0.29980(14) 0.3110(2) 0.0204(6) Uani 1 1 d . . .
C17 C -0.3437(3) 0.29570(15) 0.2209(2) 0.0237(7) Uani 1 1 d . . .
H17 H -0.4198 0.2989 0.186 0.028 Uiso 1 1 calc R . .
C18 C -0.2925(3) 0.28703(15) 0.1810(2) 0.0207(6) Uani 1 1 d . . .
H18 H -0.3337 0.2838 0.1196 0.025 Uiso 1 1 calc R . .
C19 C -0.3436(3) 0.31136(16) 0.3526(3) 0.0282(8) Uani 1 1 d . . .
H19A H -0.3945 0.3421 0.322 0.042 Uiso 1 1 calc R . .
H19B H -0.2909 0.3216 0.4136 0.042 Uiso 1 1 calc R . .
H19C H -0.3825 0.2779 0.3493 0.042 Uiso 1 1 calc R . .
C20 C -0.1996(2) 0.32061(13) 0.08048(19) 0.0148(6) Uani 1 1 d . . .
C21 C -0.2493(2) 0.36944(14) 0.0817(2) 0.0183(6) Uani 1 1 d . . .
H21 H -0.2329 0.3829 0.1353 0.022 Uiso 1 1 calc R . .
C22 C -0.3220(3) 0.39827(14) 0.0056(2) 0.0203(6) Uani 1 1 d . . .
H22 H -0.3547 0.4312 0.0078 0.024 Uiso 1 1 calc R . .
C23 C -0.3476(3) 0.37974(14) -0.0741(2) 0.0198(6) Uani 1 1 d . . .
C24 C -0.2948(3) 0.33273(14) -0.0747(2) 0.0213(6) Uani 1 1 d . . .
H24 H -0.3085 0.3204 -0.1279 0.026 Uiso 1 1 calc R . .
C25 C -0.2225(3) 0.30363(13) 0.0012(2) 0.0179(6) Uani 1 1 d . . .
H25 H -0.1879 0.2715 -0.0011 0.022 Uiso 1 1 calc R . .
C26 C -0.4300(3) 0.41025(15) -0.1570(2) 0.0276(7) Uani 1 1 d . . .
H26A H -0.4191 0.4014 -0.2017 0.041 Uiso 1 1 calc R . .
H26B H -0.4221 0.4505 -0.1461 0.041 Uiso 1 1 calc R . .
H26C H -0.5023 0.3987 -0.1768 0.041 Uiso 1 1 calc R . .
C27 C -0.1212(2) 0.21055(13) 0.14054(19) 0.0150(6) Uani 1 1 d . . .
C28 C -0.0537(3) 0.19329(13) 0.1174(2) 0.0191(6) Uani 1 1 d . . .
H28 H 0.0002 0.2178 0.1257 0.023 Uiso 1 1 calc R . .
C29 C -0.0651(3) 0.14063(14) 0.0826(2) 0.0214(7) Uani 1 1 d . . .
H29 H -0.0208 0.1302 0.065 0.026 Uiso 1 1 calc R . .
C30 C -0.1406(3) 0.10276(14) 0.0730(2) 0.0212(6) Uani 1 1 d . . .
C31 C -0.2049(3) 0.11958(14) 0.0989(2) 0.0217(7) Uani 1 1 d . . .
H31 H -0.2555 0.0942 0.0944 0.026 Uiso 1 1 calc R . .
C32 C -0.1966(2) 0.17261(14) 0.1312(2) 0.0179(6) Uani 1 1 d . . .
H32 H -0.2425 0.1833 0.1471 0.021 Uiso 1 1 calc R . .
C33 C -0.1518(3) 0.04532(16) 0.0360(3) 0.0310(8) Uani 1 1 d . . .
H33A H -0.1148 0.0182 0.0834 0.047 Uiso 1 1 calc R . .
H33B H -0.1199 0.045 0.0039 0.047 Uiso 1 1 calc R . .
H33C H -0.2281 0.0356 -0.0033 0.047 Uiso 1 1 calc R . .
C34 C 0.0082(2) 0.39089(13) 0.11213(19) 0.0150(6) Uani 1 1 d . . .
C35 C -0.0662(3) 0.42830(13) 0.0499(2) 0.0182(6) Uani 1 1 d . . .
H35 H -0.0938 0.4572 0.0659 0.022 Uiso 1 1 calc R . .
C36 C -0.1004(3) 0.42369(14) -0.0358(2) 0.0208(6) Uani 1 1 d . . .
H36 H -0.1512 0.4497 -0.0776 0.025 Uiso 1 1 calc R . .
C37 C -0.0618(3) 0.38184(14) -0.0619(2) 0.0203(6) Uani 1 1 d . . .
C38 C 0.0134(3) 0.34484(15) 0.0006(2) 0.0224(7) Uani 1 1 d . . .
H38 H 0.042 0.3165 -0.0154 0.027 Uiso 1 1 calc R . .
C39 C 0.0475(3) 0.34871(13) 0.0862(2) 0.0183(6) Uani 1 1 d . . .
H39 H 0.098 0.3225 0.1278 0.022 Uiso 1 1 calc R . .
C40 C -0.1037(3) 0.37527(17) -0.1561(2) 0.0305(8) Uani 1 1 d . . .
H40A H -0.1571 0.3453 -0.1826 0.046 Uiso 1 1 calc R . .
H40B H -0.0441 0.3661 -0.1596 0.046 Uiso 1 1 calc R . .
H40C H -0.1372 0.4102 -0.1872 0.046 Uiso 1 1 calc R . .
C41 C 0.1842(2) 0.43613(13) 0.2697(2) 0.0160(6) Uani 1 1 d . . .
C42 C 0.2103(3) 0.45954(15) 0.2172(2) 0.0227(7) Uani 1 1 d . . .
H42 H 0.1688 0.4506 0.1571 0.027 Uiso 1 1 calc R . .
C43 C 0.2969(3) 0.49584(16) 0.2521(2) 0.0280(8) Uani 1 1 d . . .
H43 H 0.3146 0.5108 0.2156 0.034 Uiso 1 1 calc R . .
C44 C 0.3579(3) 0.51070(16) 0.3394(2) 0.0282(8) Uani 1 1 d . . .
C45 C 0.3319(3) 0.48698(15) 0.3917(2) 0.0259(7) Uani 1 1 d . . .
H45 H 0.373 0.4963 0.4516 0.031 Uiso 1 1 calc R . .
C46 C 0.2468(3) 0.44980(14) 0.3579(2) 0.0213(7) Uani 1 1 d . . .
H46 H 0.2312 0.4336 0.395 0.026 Uiso 1 1 calc R . .
C47 C 0.4471(4) 0.5531(2) 0.3746(3) 0.0488(12) Uani 1 1 d . . .
H47A H 0.4809 0.5589 0.4366 0.073 Uiso 1 1 calc R . .
H47B H 0.4173 0.5884 0.3435 0.073 Uiso 1 1 calc R . .
H47C H 0.5009 0.5394 0.3664 0.073 Uiso 1 1 calc R . .
C48 C -0.0136(2) 0.44426(13) 0.2420(2) 0.0162(6) Uani 1 1 d . . .
C49 C -0.0216(3) 0.50062(14) 0.2186(2) 0.0230(7) Uani 1 1 d . . .
H49 H 0.0125 0.5133 0.1929 0.028 Uiso 1 1 calc R . .
C50 C -0.0790(3) 0.53765(14) 0.2330(2) 0.0265(7) Uani 1 1 d . . .
H50 H -0.0835 0.5756 0.2169 0.032 Uiso 1 1 calc R . .
C51 C -0.1303(3) 0.52072(16) 0.2703(3) 0.0290(8) Uani 1 1 d . . .
C52 C -0.1198(3) 0.46551(16) 0.2958(2) 0.0270(7) Uani 1 1 d . . .
H52 H -0.1527 0.4534 0.3228 0.032 Uiso 1 1 calc R . .
C53 C -0.0615(3) 0.42745(15) 0.2826(2) 0.0206(6) Uani 1 1 d . . .
H53 H -0.0545 0.39 0.3012 0.025 Uiso 1 1 calc R . .
C54 C -0.1954(4) 0.5614(2) 0.2835(4) 0.0492(12) Uani 1 1 d . . .
H54A H -0.1662 0.5991 0.2916 0.074 Uiso 1 1 calc R . .
H54B H -0.1915 0.5506 0.3351 0.074 Uiso 1 1 calc R . .
H54C H -0.2704 0.5609 0.2325 0.074 Uiso 1 1 calc R . .
C55 C 0.4609(5) 0.4477(3) 0.0677(5) 0.0512(19) Uiso 0.703(8) 1 d PD A 1
H55 H 0.4481 0.4524 0.0127 0.061 Uiso 0.703(8) 1 calc PR A 1
C56 C 0.5649(6) 0.4518(5) 0.1428(5) 0.049(2) Uiso 0.703(8) 1 d PD A 1
H56 H 0.6228 0.458 0.1385 0.058 Uiso 0.703(8) 1 calc PR A 1
C57 C 0.5853(5) 0.4470(3) 0.2235(4) 0.0394(15) Uiso 0.703(8) 1 d PD A 1
H57 H 0.656 0.4516 0.2748 0.047 Uiso 0.703(8) 1 calc PR A 1
C58 C 0.5001(4) 0.4354(3) 0.2285(4) 0.0397(15) Uiso 0.703(8) 1 d PD A 1
H58 H 0.5129 0.4316 0.2836 0.048 Uiso 0.703(8) 1 calc PR A 1
C59 C 0.3965(5) 0.4294(3) 0.1535(4) 0.0408(16) Uiso 0.703(8) 1 d PD A 1
H59 H 0.3392 0.4201 0.1574 0.049 Uiso 0.703(8) 1 calc PR A 1
C60 C 0.3764(6) 0.4369(3) 0.0723(5) 0.047(2) Uiso 0.703(8) 1 d PD A 1
C61 C 0.2623(8) 0.4330(4) -0.0067(7) 0.077(3) Uiso 0.703(8) 1 d P A 1
H61A H 0.215 0.4249 0.011 0.115 Uiso 0.703(8) 1 calc PR A 1
H61B H 0.2562 0.4031 -0.0445 0.115 Uiso 0.703(8) 1 calc PR A 1
H61C H 0.2411 0.4684 -0.0383 0.115 Uiso 0.703(8) 1 calc PR A 1
C55A C 0.3699(9) 0.4498(6) 0.0112(8) 0.036(3) Uiso 0.297(8) 1 d PD A 2
H55A H 0.3125 0.4545 -0.0483 0.043 Uiso 0.297(8) 1 calc PR A 2
C56A C 0.4748(8) 0.4608(6) 0.0382(8) 0.036(3) Uiso 0.297(8) 1 d PD A 2
H56A H 0.488 0.4711 -0.0031 0.043 Uiso 0.297(8) 1 calc PR A 2
C57A C 0.5590(12) 0.4567(8) 0.1250(9) 0.034(4) Uiso 0.297(8) 1 d PD A 2
H57A H 0.6294 0.4674 0.1446 0.041 Uiso 0.297(8) 1 calc PR A 2
C58A C 0.5398(11) 0.4367(7) 0.1835(11) 0.046(4) Uiso 0.297(8) 1 d PD A 2
H58A H 0.5978 0.4298 0.2422 0.055 Uiso 0.297(8) 1 calc PR A 2
C59A C 0.4337(9) 0.4270(6) 0.1546(7) 0.036(3) Uiso 0.297(8) 1 d PD A 2
H59A H 0.4211 0.4165 0.1962 0.043 Uiso 0.297(8) 1 calc PR A 2
C60A C 0.3464(9) 0.4319(5) 0.0691(6) 0.016(3) Uiso 0.297(8) 1 d PD A 2
C61A C 0.2325(11) 0.4206(7) 0.0296(10) 0.038(3) Uiso 0.297(8) 1 d P A 2
H61D H 0.1902 0.4279 -0.0329 0.057 Uiso 0.297(8) 1 calc PR A 2
H61E H 0.2076 0.4447 0.0561 0.057 Uiso 0.297(8) 1 calc PR A 2
H61F H 0.2238 0.3815 0.0393 0.057 Uiso 0.297(8) 1 calc PR A 2
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'
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'
H H 0 0 '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
P1 Pt1 P2 51.97(3) . . ?
P1 Pt1 P3 144.37(3) . . ?
P3 Pt1 P2 92.71(3) . . ?
P4 Pt1 P1 116.86(3) . . ?
P4 Pt1 P3 98.74(3) . . ?
P4 Pt1 P2 167.71(3) . . ?
C2 N1 C5 122.1(2) . . ?
C2 N1 P1 115.6(2) . . ?
C5 N1 P1 114.5(2) . . ?
C11 N2 C8 115.9(3) . . ?
C11 N2 P1 116.1(2) . . ?
C8 N2 P1 125.1(2) . . ?
N2 P1 N1 100.92(13) . . ?
N2 P1 P2 121.53(10) . . ?
N1 P1 P2 122.46(10) . . ?
N2 P1 Pt1 125.61(10) . . ?
N1 P1 Pt1 118.87(9) . . ?
P2 P1 Pt1 66.79(4) . . ?
P1 P2 Pt1 61.24(4) . . ?
C27 P3 C13 106.05(14) . . ?
C27 P3 C20 101.95(14) . . ?
C13 P3 C20 100.84(14) . . ?
C27 P3 Pt1 111.93(10) . . ?
C13 P3 Pt1 112.00(10) . . ?
C20 P3 Pt1 122.36(10) . . ?
C34 P4 C48 108.00(14) . . ?
C34 P4 C41 100.62(14) . . ?
C48 P4 C41 97.76(14) . . ?
C34 P4 Pt1 110.66(10) . . ?
C48 P4 Pt1 115.34(11) . . ?
C41 P4 Pt1 122.59(10) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C3 113.6(3) . . ?
N1 C2 C1 115.0(3) . . ?
C3 C2 C1 110.6(3) . . ?
N1 C2 H2 105.5 . . ?
C3 C2 H2 105.5 . . ?
C1 C2 H2 105.5 . . ?
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 . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C5 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C5 C6 113.2(3) . . ?
N1 C5 C4 115.3(3) . . ?
C6 C5 C4 111.3(3) . . ?
N1 C5 H5 105.3 . . ?
C6 C5 H5 105.3 . . ?
C4 C5 H5 105.3 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C9 111.6(3) . . ?
N2 C8 C7 114.6(3) . . ?
C9 C8 C7 111.7(3) . . ?
N2 C8 H8 106 . . ?
C9 C8 H8 106 . . ?
C7 C8 H8 106 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N2 C11 C12 112.4(3) . . ?
N2 C11 C10 113.8(3) . . ?
C12 C11 C10 110.4(3) . . ?
N2 C11 H11 106.6 . . ?
C12 C11 H11 106.6 . . ?
C10 C11 H11 106.6 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 118.2(3) . . ?
C14 C13 P3 119.6(2) . . ?
C18 C13 P3 122.0(2) . . ?
C13 C14 C15 121.1(3) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 H14 119.5 . . ?
C16 C15 C14 120.9(3) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C15 C16 C17 117.8(3) . . ?
C15 C16 C19 121.6(3) . . ?
C17 C16 C19 120.6(3) . . ?
C18 C17 C16 121.7(3) . . ?
C18 C17 H17 119.1 . . ?
C16 C17 H17 119.1 . . ?
C17 C18 C13 120.2(3) . . ?
C17 C18 H18 119.9 . . ?
C13 C18 H18 119.9 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C25 C20 C21 117.8(3) . . ?
C25 C20 P3 121.7(2) . . ?
C21 C20 P3 120.5(2) . . ?
C22 C21 C20 120.8(3) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C21 C22 C23 121.1(3) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 H22 119.5 . . ?
C24 C23 C22 118.0(3) . . ?
C24 C23 C26 121.4(3) . . ?
C22 C23 C26 120.6(3) . . ?
C25 C24 C23 121.0(3) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C24 C25 C20 121.2(3) . . ?
C24 C25 H25 119.4 . . ?
C20 C25 H25 119.4 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C32 C27 C28 118.3(3) . . ?
C32 C27 P3 123.2(2) . . ?
C28 C27 P3 118.5(2) . . ?
C29 C28 C27 120.5(3) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C28 C29 C30 121.2(3) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 H29 119.4 . . ?
C31 C30 C29 117.9(3) . . ?
C31 C30 C33 121.0(3) . . ?
C29 C30 C33 121.1(3) . . ?
C32 C31 C30 121.3(3) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C31 C32 C27 120.7(3) . . ?
C31 C32 H32 119.6 . . ?
C27 C32 H32 119.6 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C39 118.4(3) . . ?
C35 C34 P4 125.1(2) . . ?
C39 C34 P4 116.5(2) . . ?
C34 C35 C36 120.3(3) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C35 C36 C37 121.5(3) . . ?
C35 C36 H36 119.2 . . ?
C37 C36 H36 119.2 . . ?
C38 C37 C36 118.1(3) . . ?
C38 C37 C40 120.6(3) . . ?
C36 C37 C40 121.2(3) . . ?
C39 C38 C37 120.9(3) . . ?
C39 C38 H38 119.6 . . ?
C37 C38 H38 119.6 . . ?
C38 C39 C34 120.8(3) . . ?
C38 C39 H39 119.6 . . ?
C34 C39 H39 119.6 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C46 118.6(3) . . ?
C42 C41 P4 123.5(2) . . ?
C46 C41 P4 117.7(2) . . ?
C43 C42 C41 120.4(3) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C42 C43 C44 121.3(3) . . ?
C42 C43 H43 119.4 . . ?
C44 C43 H43 119.4 . . ?
C45 C44 C43 118.1(3) . . ?
C45 C44 C47 121.6(4) . . ?
C43 C44 C47 120.3(4) . . ?
C44 C45 C46 121.1(3) . . ?
C44 C45 H45 119.4 . . ?
C46 C45 H45 119.4 . . ?
C45 C46 C41 120.5(3) . . ?
C45 C46 H46 119.8 . . ?
C41 C46 H46 119.8 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C53 C48 C49 118.4(3) . . ?
C53 C48 P4 118.9(2) . . ?
C49 C48 P4 122.6(2) . . ?
C50 C49 C48 120.2(3) . . ?
C50 C49 H49 119.9 . . ?
C48 C49 H49 119.9 . . ?
C49 C50 C51 121.7(3) . . ?
C49 C50 H50 119.1 . . ?
C51 C50 H50 119.1 . . ?
C52 C51 C50 118.2(3) . . ?
C52 C51 C54 120.6(4) . . ?
C50 C51 C54 121.2(4) . . ?
C51 C52 C53 121.1(3) . . ?
C51 C52 H52 119.4 . . ?
C53 C52 H52 119.4 . . ?
C48 C53 C52 120.4(3) . . ?
C48 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C60 C55 C56 120.6(7) . . ?
C60 C55 H55 119.7 . . ?
C56 C55 H55 119.7 . . ?
C57 C56 C55 120.9(8) . . ?
C57 C56 H56 119.6 . . ?
C55 C56 H56 119.6 . . ?
C56 C57 C58 118.7(7) . . ?
C56 C57 H57 120.7 . . ?
C58 C57 H57 120.7 . . ?
C59 C58 C57 120.6(6) . . ?
C59 C58 H58 119.7 . . ?
C57 C58 H58 119.7 . . ?
C58 C59 C60 120.0(7) . . ?
C58 C59 H59 120 . . ?
C60 C59 H59 120 . . ?
C55 C60 C59 119.1(7) . . ?
C55 C60 C61 122.8(7) . . ?
C59 C60 C61 118.1(7) . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C56A C55A C60A 122.4(12) . . ?
C56A C55A H55A 118.8 . . ?
C60A C55A H55A 118.8 . . ?
C57A C56A C55A 119.9(13) . . ?
C57A C56A H56A 120.1 . . ?
C55A C56A H56A 120.1 . . ?
C56A C57A C58A 119.4(14) . . ?
C56A C57A H57A 120.3 . . ?
C58A C57A H57A 120.3 . . ?
C57A C58A C59A 119.0(14) . . ?
C57A C58A H58A 120.5 . . ?
C59A C58A H58A 120.5 . . ?
C60A C59A C58A 123.6(14) . . ?
C60A C59A H59A 118.2 . . ?
C58A C59A H59A 118.2 . . ?
C59A C60A C55A 115.5(12) . . ?
C59A C60A C61A 129.2(11) . . ?
C55A C60A C61A 115.4(10) . . ?
C60A C61A H61D 109.5 . . ?
C60A C61A H61E 109.5 . . ?
H61D C61A H61E 109.5 . . ?
C60A C61A H61F 109.5 . . ?
H61D C61A H61F 109.5 . . ?
H61E C61A H61F 109.5 . . ?
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
P1 Pt1 2.2916(11) . ?
P2 Pt1 2.4024(9) . ?
P3 Pt1 2.3131(10) . ?
P4 Pt1 2.2773(9) . ?
P1 P2 2.0590(12) . ?
N1 C2 1.484(4) . ?
N1 C5 1.493(4) . ?
N1 P1 1.713(3) . ?
N2 C11 1.477(4) . ?
N2 C8 1.478(4) . ?
N2 P1 1.691(3) . ?
P3 C27 1.826(3) . ?
P3 C13 1.842(3) . ?
P3 C20 1.843(3) . ?
P4 C34 1.831(3) . ?
P4 C48 1.834(3) . ?
P4 C41 1.839(3) . ?
C1 C2 1.534(4) . ?
C1 H1A 0.98 . ?
C1 H1B 0.98 . ?
C1 H1C 0.98 . ?
C2 C3 1.534(5) . ?
C2 H2 1 . ?
C3 H3A 0.98 . ?
C3 H3B 0.98 . ?
C3 H3C 0.98 . ?
C4 C5 1.530(5) . ?
C4 H4A 0.98 . ?
C4 H4B 0.98 . ?
C4 H4C 0.98 . ?
C5 C6 1.520(5) . ?
C5 H5 1 . ?
C6 H6A 0.98 . ?
C6 H6B 0.98 . ?
C6 H6C 0.98 . ?
C7 C8 1.524(5) . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 C9 1.513(5) . ?
C8 H8 1 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 C11 1.536(5) . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C11 C12 1.523(5) . ?
C11 H11 1 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 C14 1.389(4) . ?
C13 C18 1.408(4) . ?
C14 C15 1.399(4) . ?
C14 H14 0.95 . ?
C15 C16 1.396(5) . ?
C15 H15 0.95 . ?
C16 C17 1.396(5) . ?
C16 C19 1.511(4) . ?
C17 C18 1.389(5) . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 C25 1.392(4) . ?
C20 C21 1.405(4) . ?
C21 C22 1.388(4) . ?
C21 H21 0.95 . ?
C22 C23 1.395(5) . ?
C22 H22 0.95 . ?
C23 C24 1.393(5) . ?
C23 C26 1.511(4) . ?
C24 C25 1.388(4) . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
C27 C32 1.399(4) . ?
C27 C28 1.402(4) . ?
C28 C29 1.389(5) . ?
C28 H28 0.95 . ?
C29 C30 1.397(5) . ?
C29 H29 0.95 . ?
C30 C31 1.396(5) . ?
C30 C33 1.510(5) . ?
C31 C32 1.385(5) . ?
C31 H31 0.95 . ?
C32 H32 0.95 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
C34 C35 1.388(4) . ?
C34 C39 1.406(4) . ?
C35 C36 1.392(4) . ?
C35 H35 0.95 . ?
C36 C37 1.394(5) . ?
C36 H36 0.95 . ?
C37 C38 1.389(5) . ?
C37 C40 1.514(5) . ?
C38 C39 1.388(5) . ?
C38 H38 0.95 . ?
C39 H39 0.95 . ?
C40 H40A 0.98 . ?
C40 H40B 0.98 . ?
C40 H40C 0.98 . ?
C41 C42 1.392(4) . ?
C41 C46 1.397(4) . ?
C42 C43 1.390(5) . ?
C42 H42 0.95 . ?
C43 C44 1.391(5) . ?
C43 H43 0.95 . ?
C44 C45 1.390(5) . ?
C44 C47 1.511(5) . ?
C45 C46 1.390(5) . ?
C45 H45 0.95 . ?
C46 H46 0.95 . ?
C47 H47A 0.98 . ?
C47 H47B 0.98 . ?
C47 H47C 0.98 . ?
C48 C53 1.398(4) . ?
C48 C49 1.407(5) . ?
C49 C50 1.386(5) . ?
C49 H49 0.95 . ?
C50 C51 1.391(6) . ?
C50 H50 0.95 . ?
C51 C52 1.388(6) . ?
C51 C54 1.519(5) . ?
C52 C53 1.399(5) . ?
C52 H52 0.95 . ?
C53 H53 0.95 . ?
C54 H54A 0.98 . ?
C54 H54B 0.98 . ?
C54 H54C 0.98 . ?
C55 C60 1.374(8) . ?
C55 C56 1.389(8) . ?
C55 H55 0.95 . ?
C56 C57 1.377(8) . ?
C56 H56 0.95 . ?
C57 C58 1.392(7) . ?
C57 H57 0.95 . ?
C58 C59 1.389(7) . ?
C58 H58 0.95 . ?
C59 C60 1.394(7) . ?
C59 H59 0.95 . ?
C60 C61 1.502(12) . ?
C61 H61A 0.98 . ?
C61 H61B 0.98 . ?
C61 H61C 0.98 . ?
C55A C56A 1.399(9) . ?
C55A C60A 1.407(9) . ?
C55A H55A 0.95 . ?
C56A C57A 1.380(9) . ?
C56A H56A 0.95 . ?
C57A C58A 1.388(9) . ?
C57A H57A 0.95 . ?
C58A C59A 1.401(9) . ?
C58A H58A 0.95 . ?
C59A C60A 1.379(9) . ?
C59A H59A 0.95 . ?
C60A C61A 1.469(18) . ?
C61A H61D 0.98 . ?
C61A H61E 0.98 . ?
C61A H61F 0.98 . ?
