# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2002

data_global

_journal_coden_Cambridge         440


loop_
_publ_author_name
'Vivian Yam'
'Chi-Hang Tao'
'Keith Man-Chung Wong'
'Nianyong Zhu'

_publ_contact_author_name        'Prof Vivian Yam'
_publ_contact_author_address     
;
Department of Chemistry
The University of Hong Kong
Pokfulam Road
HONG KONG
;

_publ_contact_author_email       WWYAM@HKU.HK

_publ_requested_journal          'New Journal of Chemistry'


_publ_section_title              
;
Versatile precursors for multinuclear platinum(II)
alkynyl assembly - Synthesis, structural characterization and
electrochemical studies of luminescent platinum(II) alkynyl complexes
;

data_mar426a
_database_code_CSD                  182813

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C50 H30 Pt1 S1'
_chemical_formula_sum            'C44 H55 F3 N3 O5 Pt S'
_chemical_formula_weight         990.06

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.259(2)
_cell_length_b                   15.053(3)
_cell_length_c                   15.134(3)
_cell_angle_alpha                103.65(3)
_cell_angle_beta                 111.31(3)
_cell_angle_gamma                98.96(3)
_cell_volume                     2237.9(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    0
_cell_measurement_theta_min      0
_cell_measurement_theta_max      0

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1002
_exptl_absorpt_coefficient_mu    3.239
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13650
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0873
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.44
_diffrn_reflns_theta_max         25.35
_reflns_number_total             6935
_reflns_number_gt                5401
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1661P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6935
_refine_ls_number_parameters     476
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0820
_refine_ls_wR_factor_ref         0.2241
_refine_ls_wR_factor_gt          0.2109
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.28701(4) 0.88948(3) 0.12238(3) 0.0514(2) Uani 1 1 d . . .
N1 N 0.1895(10) 0.7927(7) -0.0157(7) 0.056(2) Uani 1 1 d . . .
N2 N 0.4307(10) 0.8339(8) 0.1100(8) 0.063(3) Uani 1 1 d . . .
N3 N 0.4355(12) 0.9683(8) 0.2549(9) 0.069(3) Uani 1 1 d . . .
C1 C 0.0631(14) 0.7736(10) -0.0758(10) 0.068(3) Uani 1 1 d . . .
H1 H 0.0106 0.8083 -0.0559 0.081 Uiso 1 1 calc R . .
C2 C 0.0066(14) 0.7028(11) -0.1683(11) 0.076(4) Uani 1 1 d . . .
H2 H -0.0830 0.6910 -0.2083 0.091 Uiso 1 1 calc R . .
C3 C 0.0812(13) 0.6489(9) -0.2026(8) 0.058(3) Uani 1 1 d . . .
C4 C 0.2143(12) 0.6723(9) -0.1371(9) 0.063(3) Uani 1 1 d . . .
H4 H 0.2701 0.6401 -0.1555 0.076 Uiso 1 1 calc R . .
C5 C 0.2645(12) 0.7419(9) -0.0463(10) 0.062(3) Uani 1 1 d . . .
C6 C 0.4049(12) 0.7649(9) 0.0286(8) 0.056(3) Uani 1 1 d . . .
C7 C 0.5026(11) 0.7240(9) 0.0220(9) 0.060(3) Uani 1 1 d . . .
H7 H 0.4854 0.6774 -0.0370 0.072 Uiso 1 1 calc R . .
C8 C 0.6242(14) 0.7491(10) 0.0990(10) 0.066(3) Uani 1 1 d . . .
C9 C 0.6524(13) 0.8279(10) 0.1872(10) 0.071(4) Uani 1 1 d . . .
H9 H 0.7358 0.8514 0.2401 0.085 Uiso 1 1 calc R . .
C10 C 0.5470(13) 0.8668(9) 0.1882(9) 0.058(3) Uani 1 1 d . . .
C11 C 0.5571(13) 0.9460(9) 0.2727(9) 0.058(3) Uani 1 1 d . . .
C12 C 0.6627(12) 0.9932(9) 0.3578(9) 0.060(3) Uani 1 1 d . . .
H12 H 0.7403 0.9745 0.3680 0.072 Uiso 1 1 calc R . .
C13 C 0.6650(14) 1.0672(9) 0.4310(9) 0.062(3) Uani 1 1 d . . .
C14 C 0.5458(14) 1.0892(10) 0.4121(11) 0.069(4) Uani 1 1 d . . .
H14 H 0.5411 1.1388 0.4596 0.083 Uiso 1 1 calc R . .
C15 C 0.4348(13) 1.0415(9) 0.3272(9) 0.060(3) Uani 1 1 d . . .
H15 H 0.3568 1.0593 0.3183 0.072 Uiso 1 1 calc R . .
C16 C 0.0241(13) 0.5746(10) -0.3050(9) 0.066(3) Uani 1 1 d . . .
C17 C -0.129(2) 0.5333(19) -0.3445(15) 0.147(10) Uani 1 1 d . . .
H17A H -0.1615 0.4860 -0.4089 0.221 Uiso 1 1 calc R . .
H17B H -0.1714 0.5834 -0.3504 0.221 Uiso 1 1 calc R . .
H17C H -0.1471 0.5052 -0.2986 0.221 Uiso 1 1 calc R . .
C18 C 0.054(2) 0.6261(14) -0.3756(13) 0.120(7) Uani 1 1 d . . .
H18A H 0.0202 0.5820 -0.4420 0.180 Uiso 1 1 calc R . .
H18B H 0.1484 0.6506 -0.3514 0.180 Uiso 1 1 calc R . .
H18C H 0.0135 0.6774 -0.3770 0.180 Uiso 1 1 calc R . .
C19 C 0.097(2) 0.4927(13) -0.2959(15) 0.108(6) Uani 1 1 d . . .
H19A H 0.0611 0.4440 -0.3597 0.162 Uiso 1 1 calc R . .
H19B H 0.0833 0.4661 -0.2475 0.162 Uiso 1 1 calc R . .
H19C H 0.1897 0.5183 -0.2752 0.162 Uiso 1 1 calc R . .
C20 C 0.7348(13) 0.7019(10) 0.0931(10) 0.067(3) Uani 1 1 d . . .
C21 C 0.7607(17) 0.7117(13) 0.0038(13) 0.089(5) Uani 1 1 d . . .
H21A H 0.6797 0.6854 -0.0557 0.133 Uiso 1 1 calc R . .
H21B H 0.8246 0.6783 -0.0029 0.133 Uiso 1 1 calc R . .
H21C H 0.7942 0.7775 0.0135 0.133 Uiso 1 1 calc R . .
C22 C 0.6769(17) 0.5933(12) 0.0781(14) 0.096(5) Uani 1 1 d . . .
H22A H 0.5958 0.5674 0.0187 0.145 Uiso 1 1 calc R . .
H22B H 0.6604 0.5883 0.1349 0.145 Uiso 1 1 calc R . .
H22C H 0.7397 0.5587 0.0717 0.145 Uiso 1 1 calc R . .
C23 C 0.8624(16) 0.7412(13) 0.1854(14) 0.106(7) Uani 1 1 d . . .
H23A H 0.8470 0.7341 0.2420 0.159 Uiso 1 1 calc R . .
H23B H 0.8966 0.8072 0.1961 0.159 Uiso 1 1 calc R . .
H23C H 0.9253 0.7074 0.1770 0.159 Uiso 1 1 calc R . .
C24 C 0.7833(14) 1.1217(10) 0.5259(10) 0.071(4) Uani 1 1 d . . .
C25 C 0.7587(18) 1.1191(17) 0.6167(12) 0.115(7) Uani 1 1 d . . .
H25A H 0.8368 1.1552 0.6761 0.173 Uiso 1 1 calc R . .
H25B H 0.7372 1.0546 0.6160 0.173 Uiso 1 1 calc R . .
H25C H 0.6865 1.1459 0.6160 0.173 Uiso 1 1 calc R . .
C26 C 0.817(2) 1.2235(12) 0.5294(14) 0.115(7) Uani 1 1 d . . .
H26A H 0.8926 1.2594 0.5903 0.172 Uiso 1 1 calc R . .
H26B H 0.7429 1.2490 0.5269 0.172 Uiso 1 1 calc R . .
H26C H 0.8357 1.2270 0.4732 0.172 Uiso 1 1 calc R . .
C27 C 0.900(2) 1.0837(16) 0.5355(14) 0.120(8) Uani 1 1 d . . .
H27A H 0.9733 1.1209 0.5975 0.181 Uiso 1 1 calc R . .
H27B H 0.9227 1.0865 0.4808 0.181 Uiso 1 1 calc R . .
H27C H 0.8789 1.0190 0.5343 0.181 Uiso 1 1 calc R . .
C28 C 0.1421(15) 0.9436(12) 0.1372(11) 0.073(4) Uani 1 1 d . . .
C29 C 0.0481(14) 0.9678(9) 0.1419(10) 0.062(3) Uani 1 1 d . . .
C30 C -0.0623(13) 1.0019(10) 0.1470(11) 0.067(3) Uani 1 1 d . . .
C31 C -0.0458(14) 1.0678(11) 0.2392(10) 0.072(4) Uani 1 1 d . . .
H31 H 0.0354 1.0879 0.2945 0.086 Uiso 1 1 calc R . .
C32 C -0.1480(16) 1.1001(11) 0.2451(11) 0.074(4) Uani 1 1 d . . .
H32 H -0.1374 1.1385 0.3068 0.088 Uiso 1 1 calc R . .
C33 C -0.2658(14) 1.0797(11) 0.1658(11) 0.069(4) Uani 1 1 d . . .
C34 C -0.2855(14) 1.0118(11) 0.0726(10) 0.067(3) Uani 1 1 d . . .
H34 H -0.3674 0.9910 0.0180 0.080 Uiso 1 1 calc R . .
C35 C -0.1815(14) 0.9792(10) 0.0668(10) 0.068(3) Uani 1 1 d . . .
H35 H -0.1920 0.9398 0.0055 0.082 Uiso 1 1 calc R . .
C36 C -0.3763(16) 1.1151(11) 0.1709(11) 0.072(4) Uani 1 1 d . . .
C37 C -0.4651(17) 1.1466(14) 0.1782(13) 0.089(5) Uani 1 1 d . . .
H37 H -0.5339 1.1711 0.1838 0.106 Uiso 1 1 calc R . .
O4 O 0.4346(17) 0.5966(13) 0.7768(12) 0.141(6) Uani 1 1 d . . .
C39 C 0.416(3) 0.617(3) 0.617(2) 0.209(16) Uani 1 1 d . . .
H39A H 0.3392 0.6377 0.6154 0.313 Uiso 1 1 calc R . .
H39B H 0.3904 0.5619 0.5593 0.313 Uiso 1 1 calc R . .
H39C H 0.4795 0.6663 0.6159 0.313 Uiso 1 1 calc R . .
C40 C 0.4780(19) 0.5897(15) 0.7139(14) 0.102(6) Uani 1 1 d . . .
C41 C 0.593(3) 0.563(2) 0.717(3) 0.201(15) Uani 1 1 d . . .
H41A H 0.6297 0.5435 0.7745 0.302 Uiso 1 1 calc R . .
H41B H 0.6558 0.6161 0.7201 0.302 Uiso 1 1 calc R . .
H41C H 0.5710 0.5115 0.6574 0.302 Uiso 1 1 calc R . .
C42 C 0.020(16) 0.540(14) 0.038(11) 0.49(14) Uani 1 1 d . . .
H42A H -0.0320 0.5326 0.0764 0.587 Uiso 1 1 calc R . .
H42B H -0.0002 0.5910 0.0113 0.587 Uiso 1 1 calc R . .
C43 C 0.151(6) 0.568(4) 0.103(4) 0.28(3) Uani 1 1 d . . .
H43A H 0.1635 0.5139 0.1258 0.336 Uiso 1 1 calc R . .
H43B H 0.1956 0.5684 0.0594 0.336 Uiso 1 1 calc R . .
C44 C 0.228(4) 0.641(2) 0.184(3) 0.217(18) Uani 1 1 d . . .
H44A H 0.3160 0.6325 0.2092 0.326 Uiso 1 1 calc R . .
H44B H 0.1945 0.6445 0.2338 0.326 Uiso 1 1 calc R . .
H44C H 0.2314 0.6985 0.1666 0.326 Uiso 1 1 calc R . .
S1 S 0.6741(11) 0.7568(7) 0.5160(7) 0.210(5) Uani 1 1 d D . .
O1 O 0.734(3) 0.7408(19) 0.6103(18) 0.275(14) Uiso 1 1 d D . .
O2 O 0.528(2) 0.7093(19) 0.456(2) 0.243(12) Uiso 1 1 d D . .
O3 O 0.703(3) 0.8608(18) 0.521(2) 0.42(3) Uiso 1 1 d D . .
F1 F 0.869(2) 0.754(2) 0.481(2) 0.362(11) Uiso 1 1 d D . .
F2 F 0.730(3) 0.6224(18) 0.426(2) 0.362(11) Uiso 1 1 d D . .
F3 F 0.692(3) 0.722(2) 0.3538(18) 0.362(11) Uiso 1 1 d D . .
O5 O 0.7500(13) 0.8216(9) 0.8019(10) 0.106(4) Uani 1 1 d . . .
C38 C 0.742(2) 0.7130(15) 0.4434(15) 0.362(11) Uiso 1 1 d D . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.0511(3) 0.0596(3) 0.0431(3) 0.0141(2) 0.0190(2) 0.0183(2)
N1 0.064(7) 0.057(6) 0.052(6) 0.019(5) 0.024(5) 0.026(5)
N2 0.045(6) 0.084(8) 0.055(6) 0.017(5) 0.019(4) 0.020(5)
N3 0.068(8) 0.076(8) 0.066(7) 0.021(6) 0.032(6) 0.024(6)
C1 0.064(9) 0.068(9) 0.064(8) 0.012(7) 0.021(6) 0.029(7)
C2 0.045(8) 0.088(10) 0.076(9) 0.010(8) 0.016(6) 0.019(7)
C3 0.065(8) 0.063(8) 0.042(6) 0.012(5) 0.020(5) 0.018(6)
C4 0.049(7) 0.070(8) 0.055(7) 0.001(6) 0.015(5) 0.018(6)
C5 0.044(7) 0.066(8) 0.065(8) 0.011(6) 0.017(5) 0.010(6)
C6 0.048(7) 0.068(8) 0.043(6) 0.012(6) 0.015(5) 0.016(5)
C7 0.044(7) 0.072(8) 0.052(7) 0.007(6) 0.015(5) 0.020(6)
C8 0.069(9) 0.066(8) 0.056(7) 0.007(6) 0.025(6) 0.026(7)
C9 0.056(8) 0.089(10) 0.054(7) 0.013(7) 0.014(6) 0.018(7)
C10 0.063(8) 0.065(8) 0.047(6) 0.019(6) 0.020(5) 0.025(6)
C11 0.066(8) 0.059(7) 0.046(6) 0.014(6) 0.021(5) 0.023(6)
C12 0.053(7) 0.064(8) 0.058(7) 0.019(6) 0.019(6) 0.016(6)
C13 0.069(9) 0.056(7) 0.056(7) 0.011(6) 0.026(6) 0.011(6)
C14 0.069(9) 0.067(9) 0.067(8) 0.007(7) 0.033(7) 0.016(7)
C15 0.061(8) 0.063(8) 0.051(7) 0.007(6) 0.025(6) 0.020(6)
C16 0.067(8) 0.070(9) 0.041(6) 0.004(6) 0.011(5) 0.014(6)
C17 0.104(16) 0.20(3) 0.078(13) -0.017(14) 0.003(11) 0.044(16)
C18 0.16(2) 0.105(14) 0.064(10) 0.012(10) 0.035(12) 0.023(13)
C19 0.138(17) 0.073(11) 0.089(12) -0.001(9) 0.039(12) 0.023(11)
C20 0.052(8) 0.069(9) 0.062(8) 0.007(6) 0.010(6) 0.027(6)
C21 0.078(11) 0.107(13) 0.103(12) 0.034(10) 0.052(9) 0.044(9)
C22 0.083(12) 0.095(12) 0.114(14) 0.035(11) 0.035(10) 0.040(9)
C23 0.068(10) 0.102(13) 0.099(13) -0.012(10) 0.000(8) 0.044(9)
C24 0.068(9) 0.065(9) 0.057(8) 0.004(6) 0.015(6) 0.006(6)
C25 0.076(12) 0.19(2) 0.060(10) 0.030(12) 0.025(8) 0.006(12)
C26 0.129(16) 0.076(12) 0.095(13) 0.028(10) 0.013(11) -0.008(11)
C27 0.095(14) 0.133(17) 0.081(12) -0.005(11) 0.001(10) 0.035(12)
C28 0.058(9) 0.093(11) 0.065(8) 0.013(7) 0.029(6) 0.023(7)
C29 0.064(9) 0.064(8) 0.063(8) 0.016(6) 0.032(6) 0.025(6)
C30 0.046(7) 0.082(10) 0.069(8) 0.021(7) 0.022(6) 0.013(6)
C31 0.056(8) 0.099(11) 0.050(7) 0.009(7) 0.022(6) 0.016(7)
C32 0.080(10) 0.085(10) 0.059(8) 0.012(7) 0.035(7) 0.031(8)
C33 0.059(9) 0.082(10) 0.077(9) 0.027(8) 0.039(7) 0.023(7)
C34 0.058(8) 0.085(10) 0.060(8) 0.030(7) 0.023(6) 0.018(7)
C35 0.070(9) 0.078(9) 0.056(7) 0.010(7) 0.029(6) 0.029(7)
C36 0.085(11) 0.079(10) 0.076(9) 0.036(8) 0.047(8) 0.035(8)
C37 0.070(11) 0.120(14) 0.098(12) 0.041(10) 0.049(9) 0.039(9)
O4 0.140(14) 0.181(16) 0.113(11) 0.026(11) 0.066(10) 0.077(12)
C39 0.18(3) 0.31(5) 0.17(3) 0.13(3) 0.07(2) 0.06(3)
C40 0.081(12) 0.123(15) 0.081(12) 0.002(11) 0.032(9) 0.024(10)
C41 0.22(4) 0.19(3) 0.22(4) 0.01(3) 0.14(3) 0.08(3)
C42 0.43(13) 1.0(4) 0.5(2) 0.6(3) 0.41(18) 0.6(2)
C43 0.41(10) 0.23(5) 0.23(6) 0.04(4) 0.15(6) 0.15(6)
C44 0.27(5) 0.15(3) 0.24(5) 0.09(3) 0.09(4) 0.08(3)
S1 0.237(11) 0.254(12) 0.122(6) 0.020(7) 0.048(6) 0.145(10)
O5 0.109(9) 0.122(10) 0.114(10) 0.053(8) 0.058(8) 0.053(8)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N2 1.980(11) . ?
Pt1 C28 1.992(15) . ?
Pt1 N3 2.012(12) . ?
Pt1 N1 2.023(10) . ?
N1 C1 1.321(17) . ?
N1 C5 1.352(16) . ?
N2 C6 1.312(16) . ?
N2 C10 1.326(16) . ?
N3 C15 1.361(16) . ?
N3 C11 1.406(17) . ?
C1 C2 1.391(19) . ?
C2 C3 1.402(19) . ?
C3 C4 1.394(17) . ?
C3 C16 1.516(16) . ?
C4 C5 1.371(17) . ?
C5 C6 1.498(16) . ?
C6 C7 1.364(17) . ?
C7 C8 1.359(18) . ?
C8 C9 1.455(18) . ?
C8 C20 1.546(18) . ?
C9 C10 1.406(18) . ?
C10 C11 1.484(17) . ?
C11 C12 1.330(17) . ?
C12 C13 1.363(17) . ?
C13 C14 1.38(2) . ?
C13 C24 1.491(18) . ?
C14 C15 1.359(19) . ?
C16 C18 1.56(2) . ?
C16 C17 1.56(3) . ?
C16 C19 1.59(2) . ?
C20 C23 1.500(19) . ?
C20 C21 1.52(2) . ?
C20 C22 1.59(2) . ?
C24 C27 1.49(2) . ?
C24 C26 1.50(2) . ?
C24 C25 1.51(2) . ?
C28 C29 1.192(19) . ?
C29 C30 1.437(19) . ?
C30 C35 1.366(19) . ?
C30 C31 1.438(19) . ?
C31 C32 1.34(2) . ?
C32 C33 1.36(2) . ?
C33 C36 1.45(2) . ?
C33 C34 1.45(2) . ?
C34 C35 1.361(19) . ?
C36 C37 1.20(2) . ?
O4 C40 1.21(2) . ?
C39 C40 1.56(3) . ?
C40 C41 1.40(3) . ?
C42 C42 1.3(4) 2_565 ?
C42 C43 1.36(17) . ?
C43 C44 1.32(5) . ?
S1 O1 1.44(2) . ?
S1 O2 1.51(2) . ?
S1 O3 1.52(2) . ?
S1 C38 1.63(2) . ?
F1 C38 1.32(2) . ?
F2 C38 1.30(2) . ?
F3 C38 1.32(2) . ?

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
N2 Pt1 C28 178.5(5) . . ?
N2 Pt1 N3 80.8(4) . . ?
C28 Pt1 N3 98.9(5) . . ?
N2 Pt1 N1 79.4(4) . . ?
C28 Pt1 N1 101.0(5) . . ?
N3 Pt1 N1 160.2(5) . . ?
C1 N1 C5 118.3(11) . . ?
C1 N1 Pt1 127.1(9) . . ?
C5 N1 Pt1 114.5(8) . . ?
C6 N2 C10 124.0(11) . . ?
C6 N2 Pt1 119.3(8) . . ?
C10 N2 Pt1 116.6(9) . . ?
C15 N3 C11 116.3(12) . . ?
C15 N3 Pt1 128.8(10) . . ?
C11 N3 Pt1 114.9(8) . . ?
N1 C1 C2 121.6(12) . . ?
C1 C2 C3 121.7(12) . . ?
C4 C3 C2 114.6(11) . . ?
C4 C3 C16 122.4(11) . . ?
C2 C3 C16 122.9(11) . . ?
C5 C4 C3 121.3(11) . . ?
N1 C5 C4 122.5(11) . . ?
N1 C5 C6 114.7(11) . . ?
C4 C5 C6 122.7(11) . . ?
N2 C6 C7 119.1(11) . . ?
N2 C6 C5 112.0(10) . . ?
C7 C6 C5 128.9(11) . . ?
C8 C7 C6 122.1(12) . . ?
C7 C8 C9 117.8(12) . . ?
C7 C8 C20 122.6(11) . . ?
C9 C8 C20 119.5(12) . . ?
C10 C9 C8 116.6(12) . . ?
N2 C10 C9 120.1(12) . . ?
N2 C10 C11 116.0(11) . . ?
C9 C10 C11 123.9(11) . . ?
C12 C11 N3 120.5(12) . . ?
C12 C11 C10 127.9(12) . . ?
N3 C11 C10 111.6(11) . . ?
C11 C12 C13 124.4(13) . . ?
C12 C13 C14 114.6(13) . . ?
C12 C13 C24 124.9(13) . . ?
C14 C13 C24 120.5(12) . . ?
C15 C14 C13 122.9(13) . . ?
C14 C15 N3 121.3(13) . . ?
C3 C16 C18 105.9(12) . . ?
C3 C16 C17 111.6(13) . . ?
C18 C16 C17 109.9(15) . . ?
C3 C16 C19 107.8(11) . . ?
C18 C16 C19 111.1(15) . . ?
C17 C16 C19 110.4(15) . . ?
C23 C20 C21 109.1(15) . . ?
C23 C20 C8 114.1(12) . . ?
C21 C20 C8 109.4(11) . . ?
C23 C20 C22 108.9(13) . . ?
C21 C20 C22 110.5(13) . . ?
C8 C20 C22 104.7(12) . . ?
C27 C24 C13 112.5(13) . . ?
C27 C24 C26 109.6(16) . . ?
C13 C24 C26 108.7(13) . . ?
C27 C24 C25 105.9(15) . . ?
C13 C24 C25 112.0(13) . . ?
C26 C24 C25 108.1(15) . . ?
C29 C28 Pt1 174.0(14) . . ?
C28 C29 C30 176.8(16) . . ?
C35 C30 C29 123.5(13) . . ?
C35 C30 C31 117.5(13) . . ?
C29 C30 C31 119.0(12) . . ?
C32 C31 C30 119.6(13) . . ?
C31 C32 C33 123.4(13) . . ?
C32 C33 C36 124.0(14) . . ?
C32 C33 C34 117.6(13) . . ?
C36 C33 C34 118.2(13) . . ?
C35 C34 C33 118.5(13) . . ?
C34 C35 C30 122.9(13) . . ?
C37 C36 C33 177.8(19) . . ?
O4 C40 C41 128(2) . . ?
O4 C40 C39 124(2) . . ?
C41 C40 C39 109(2) . . ?
C42 C42 C43 117(8) 2_565 . ?
C44 C43 C42 136(9) . . ?
O1 S1 O2 116.3(14) . . ?
O1 S1 O3 114.4(13) . . ?
O2 S1 O3 109.8(12) . . ?
O1 S1 C38 108.9(13) . . ?
O2 S1 C38 104.1(11) . . ?
O3 S1 C38 101.7(14) . . ?
F2 C38 F3 104.0(19) . . ?
F2 C38 F1 105.9(19) . . ?
F3 C38 F1 105.5(19) . . ?
F2 C38 S1 114.3(17) . . ?
F3 C38 S1 114.0(17) . . ?
F1 C38 S1 112.2(17) . . ?

_diffrn_measured_fraction_theta_max 0.845
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.845
_refine_diff_density_max         4.948
_refine_diff_density_min         -2.557
_refine_diff_density_rms         0.246

data_mar359
_database_code_CSD                  182814

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H81 Cl2 N1 O1 P4 Pt2'
_chemical_formula_sum            'C46 H81 Cl2 N O P4 Pt2'
_chemical_formula_weight         1249.08

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 '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'
P P 0.1023 0.0942 '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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.420(2)
_cell_length_b                   15.207(3)
_cell_length_c                   19.435(4)
_cell_angle_alpha                106.31(3)
_cell_angle_beta                 101.79(3)
_cell_angle_gamma                99.40(3)
_cell_volume                     2812.3(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    301(2)
_cell_measurement_reflns_used    0
_cell_measurement_theta_min      0
_cell_measurement_theta_max      0

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1244
_exptl_absorpt_coefficient_mu    5.208
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      301(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6049
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0925
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.13
_diffrn_reflns_theta_max         22.94
_reflns_number_total             4287
_reflns_number_gt                2385
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0813P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4287
_refine_ls_number_parameters     370
_refine_ls_number_restraints     34
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0536
_refine_ls_wR_factor_ref         0.1452
_refine_ls_wR_factor_gt          0.1318
_refine_ls_goodness_of_fit_ref   0.889
_refine_ls_restrained_S_all      0.887
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.10074(7) 0.76912(7) 0.02221(4) 0.1068(4) Uani 1 1 d . . .
Pt2 Pt 0.60905(7) 0.75065(7) -0.51418(4) 0.1118(4) Uani 1 1 d . . .
Cl1 Cl 0.0942(6) 0.6873(6) 0.1093(3) 0.168(3) Uani 1 1 d . . .
Cl2 Cl 0.7157(7) 0.6509(6) -0.5862(4) 0.195(4) Uani 1 1 d . . .
P1 P -0.1000(5) 0.6757(6) -0.0533(3) 0.134(2) Uani 1 1 d D . .
P2 P 0.3110(6) 0.8555(6) 0.0868(3) 0.147(3) Uani 1 1 d D . .
P3 P 0.4013(6) 0.6702(6) -0.5923(3) 0.137(2) Uani 1 1 d D . .
P4 P 0.8109(6) 0.8278(6) -0.4267(3) 0.147(3) Uani 1 1 d D . .
N1 N 0.1823(17) 1.1174(16) -0.2624(9) 0.109(6) Uani 1 1 d . . .
C1 C 0.109(2) 0.841(2) -0.0479(12) 0.144(10) Uani 1 1 d . . .
C2 C 0.105(2) 0.885(2) -0.0927(12) 0.127(9) Uani 1 1 d . . .
C3 C 0.119(2) 0.949(3) -0.1340(11) 0.146(13) Uani 1 1 d . . .
C4 C 0.067(2) 1.031(2) -0.1221(14) 0.131(10) Uani 1 1 d . . .
C5 C 0.082(2) 1.091(3) -0.1615(13) 0.150(12) Uani 1 1 d . . .
C6 C 0.150(2) 1.060(2) -0.2157(12) 0.121(10) Uani 1 1 d . . .
C7 C 0.2080(18) 0.985(2) -0.2269(9) 0.088(7) Uani 1 1 d . . .
C8 C 0.1896(17) 0.919(2) -0.1895(11) 0.126(10) Uani 1 1 d . . .
C9 C 0.5266(18) 0.832(2) -0.4562(11) 0.138(10) Uani 1 1 d . . .
C10 C 0.460(2) 0.879(2) -0.4248(11) 0.123(9) Uani 1 1 d . . .
C11 C 0.3912(17) 0.953(2) -0.3817(11) 0.121(10) Uani 1 1 d . . .
C12 C 0.377(2) 1.033(2) -0.3982(11) 0.123(9) Uani 1 1 d . . .
C13 C 0.3040(18) 1.095(2) -0.3596(12) 0.115(8) Uani 1 1 d . . .
C14 C 0.2548(18) 1.064(3) -0.3041(11) 0.117(11) Uani 1 1 d . . .
C15 C 0.2709(18) 0.983(2) -0.2882(11) 0.099(8) Uani 1 1 d . . .
C16 C 0.3372(17) 0.9187(17) -0.3275(11) 0.100(7) Uani 1 1 d . . .
C17 C 0.147(2) 1.203(2) -0.2620(11) 0.113(7) Uani 1 1 d . . .
C18 C 0.258(4) 1.280(3) -0.2069(15) 0.183(13) Uani 1 1 d . . .
C19 C 0.223(3) 1.379(3) -0.2063(14) 0.188(13) Uani 1 1 d . . .
C20 C 0.332(4) 1.472(4) -0.150(2) 0.27(2) Uani 1 1 d . . .
C21 C -0.206(4) 0.580(3) -0.023(2) 0.32(2) Uiso 1 1 d D . .
C22 C -0.329(5) 0.531(5) -0.062(3) 0.38(3) Uiso 1 1 d D . .
C23 C -0.256(5) 0.712(4) -0.109(3) 0.46(4) Uiso 1 1 d D . .
C24 C -0.237(4) 0.801(4) -0.070(2) 0.32(2) Uiso 1 1 d D . .
C25 C -0.068(6) 0.588(3) -0.143(2) 0.39(3) Uiso 1 1 d D . .
C26 C 0.044(5) 0.560(5) -0.136(3) 0.36(3) Uiso 1 1 d D . .
C27 C 0.391(3) 0.870(3) 0.1839(14) 0.208(11) Uiso 1 1 d D . .
C28 C 0.293(3) 0.902(3) 0.2307(19) 0.241(14) Uiso 1 1 d D . .
C29 C 0.326(7) 0.984(2) 0.103(3) 0.48(4) Uiso 1 1 d D . .
C30 C 0.233(13) 1.029(13) 0.149(7) 0.98(12) Uiso 1 1 d D . .
C31 C 0.466(5) 0.853(6) 0.055(3) 0.46(4) Uiso 1 1 d D . .
C32 C 0.408(5) 0.737(5) 0.003(3) 0.36(3) Uiso 1 1 d . . .
C33 C 0.298(4) 0.760(3) -0.6075(17) 0.263(16) Uiso 1 1 d D . .
C34 C 0.143(4) 0.692(4) -0.650(2) 0.32(2) Uiso 1 1 d D . .
C35 C 0.397(4) 0.584(2) -0.6859(18) 0.30(2) Uiso 1 1 d D . .
C36 C 0.413(4) 0.663(4) -0.729(2) 0.31(2) Uiso 1 1 d D . .
C37 C 0.331(5) 0.605(3) -0.532(3) 0.37(3) Uiso 1 1 d D . .
C38 C 0.344(9) 0.500(4) -0.526(5) 0.63(6) Uiso 1 1 d D . .
C39 C 0.809(3) 0.860(3) -0.3363(16) 0.283(18) Uiso 1 1 d D . .
C40 C 0.767(3) 0.759(3) -0.3255(17) 0.236(13) Uiso 1 1 d D . .
C41 C 0.958(3) 0.800(3) -0.4367(18) 0.244(15) Uiso 1 1 d D . .
C42 C 1.011(3) 0.821(3) -0.5035(19) 0.257(15) Uiso 1 1 d D . .
C43 C 0.782(6) 0.913(3) -0.463(3) 1.6(3) Uiso 1 1 d D . .
C44 C 0.832(4) 1.012(4) -0.399(2) 0.293(18) Uiso 1 1 d D . .
C98 C 0.140(5) 0.611(5) 0.661(3) 0.33(2) Uiso 1 1 d . . .
C99 C 0.280(8) 0.635(6) 0.719(3) 0.40(3) Uiso 1 1 d . . .
O1 O 0.432(5) 0.673(4) 0.752(2) 0.46(2) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.1086(6) 0.1252(10) 0.0940(6) 0.0367(5) 0.0322(4) 0.0383(6)
Pt2 0.1146(6) 0.1312(11) 0.0953(6) 0.0326(5) 0.0375(4) 0.0399(6)
Cl1 0.176(5) 0.204(10) 0.142(4) 0.095(5) 0.034(4) 0.036(5)
Cl2 0.182(6) 0.219(11) 0.174(5) 0.007(5) 0.073(5) 0.088(6)
P1 0.114(4) 0.147(8) 0.122(4) 0.036(4) 0.013(3) 0.016(4)
P2 0.108(4) 0.183(10) 0.146(5) 0.067(5) 0.015(3) 0.029(5)
P3 0.125(4) 0.155(9) 0.113(4) 0.027(4) 0.016(3) 0.035(5)
P4 0.110(4) 0.201(10) 0.124(4) 0.045(5) 0.023(3) 0.046(5)
N1 0.131(12) 0.12(2) 0.098(11) 0.046(12) 0.043(10) 0.049(13)
C1 0.123(16) 0.19(4) 0.120(18) 0.029(18) 0.051(14) 0.051(18)
C2 0.153(18) 0.15(3) 0.090(16) 0.027(16) 0.043(14) 0.059(18)
C3 0.103(15) 0.28(5) 0.075(14) 0.09(2) 0.029(12) 0.031(19)
C4 0.129(18) 0.13(3) 0.14(2) 0.018(17) 0.046(15) 0.068(19)
C5 0.137(17) 0.25(4) 0.130(19) 0.11(2) 0.078(15) 0.08(2)
C6 0.102(15) 0.17(4) 0.094(15) 0.055(18) 0.020(12) 0.035(18)
C7 0.090(13) 0.10(2) 0.071(13) 0.023(12) 0.017(10) 0.042(14)
C8 0.080(12) 0.22(4) 0.085(14) 0.064(17) 0.014(10) 0.026(15)
C9 0.093(13) 0.23(4) 0.101(15) 0.050(16) 0.046(12) 0.037(16)
C10 0.123(16) 0.17(3) 0.104(15) 0.074(16) 0.044(13) 0.027(17)
C11 0.072(12) 0.19(4) 0.094(15) 0.032(18) 0.021(11) 0.028(15)
C12 0.148(19) 0.12(3) 0.109(16) 0.056(15) 0.008(14) 0.044(18)
C13 0.090(12) 0.13(3) 0.111(15) 0.017(14) 0.012(11) 0.039(14)
C14 0.080(12) 0.20(4) 0.070(12) 0.044(17) 0.025(11) 0.026(16)
C15 0.083(13) 0.12(3) 0.082(15) 0.048(15) -0.014(11) 0.020(14)
C16 0.077(11) 0.11(2) 0.109(14) 0.020(13) 0.034(11) 0.035(13)
C17 0.144(17) 0.09(2) 0.115(16) 0.035(14) 0.024(13) 0.063(18)
C18 0.34(4) 0.09(3) 0.15(2) 0.05(2) 0.11(3) 0.07(3)
C19 0.20(3) 0.15(4) 0.16(2) 0.01(2) 0.040(19) -0.01(3)
C20 0.26(4) 0.27(7) 0.28(4) 0.07(4) 0.08(3) 0.08(4)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C1 1.97(3) . ?
Pt1 P2 2.261(7) . ?
Pt1 P1 2.269(6) . ?
Pt1 Cl1 2.371(6) . ?
Pt2 C9 1.87(3) . ?
Pt2 P3 2.288(6) . ?
Pt2 P4 2.302(6) . ?
Pt2 Cl2 2.343(6) . ?
Pt2 C43 2.60(6) . ?
P1 C21 1.98(4) . ?
P1 C25 2.00(4) . ?
P1 C23 2.00(4) . ?
P2 C27 1.84(2) . ?
P2 C31 1.85(3) . ?
P2 C29 1.87(3) . ?
P3 C35 1.91(3) . ?
P3 C37 1.92(3) . ?
P3 C33 1.92(3) . ?
P4 C41 1.69(3) . ?
P4 C43 1.69(3) . ?
P4 C39 1.69(3) . ?
N1 C14 1.40(3) . ?
N1 C17 1.40(3) . ?
N1 C6 1.47(3) . ?
C1 C2 1.24(3) . ?
C2 C3 1.43(4) . ?
C3 C4 1.42(4) . ?
C3 C8 1.44(3) . ?
C4 C5 1.35(3) . ?
C5 C6 1.40(3) . ?
C6 C7 1.36(3) . ?
C7 C8 1.40(3) . ?
C7 C15 1.47(3) . ?
C9 C10 1.20(3) . ?
C10 C11 1.57(4) . ?
C11 C12 1.36(3) . ?
C11 C16 1.47(3) . ?
C12 C13 1.45(3) . ?
C13 C14 1.44(3) . ?
C14 C15 1.39(4) . ?
C15 C16 1.43(3) . ?
C17 C18 1.49(4) . ?
C18 C19 1.59(4) . ?
C19 C20 1.61(5) . ?
C21 C22 1.32(4) . ?
C23 C24 1.31(4) . ?
C25 C26 1.31(4) . ?
C27 C28 1.55(4) . ?
C29 C30 1.56(4) . ?
C31 C32 1.71(9) . ?
C33 C34 1.67(4) . ?
C35 C36 1.66(4) . ?
C37 C38 1.66(4) . ?
C39 C40 1.60(3) . ?
C41 C42 1.59(3) . ?
C43 C44 1.59(4) . ?
C98 C99 1.56(7) . ?
C99 O1 1.53(7) . ?

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
C1 Pt1 P2 87.4(7) . . ?
C1 Pt1 P1 89.8(7) . . ?
P2 Pt1 P1 173.5(2) . . ?
C1 Pt1 Cl1 178.3(8) . . ?
P2 Pt1 Cl1 91.3(2) . . ?
P1 Pt1 Cl1 91.6(2) . . ?
C9 Pt2 P3 89.4(6) . . ?
C9 Pt2 P4 88.0(6) . . ?
P3 Pt2 P4 174.5(2) . . ?
C9 Pt2 Cl2 179.0(8) . . ?
P3 Pt2 Cl2 91.5(2) . . ?
P4 Pt2 Cl2 91.2(2) . . ?
C9 Pt2 C43 75.2(12) . . ?
P3 Pt2 C43 143.6(10) . . ?
P4 Pt2 C43 39.7(10) . . ?
Cl2 Pt2 C43 103.8(10) . . ?
C21 P1 C25 98.0(15) . . ?
C21 P1 C23 97.6(15) . . ?
C25 P1 C23 95.8(14) . . ?
C21 P1 Pt1 120.9(14) . . ?
C25 P1 Pt1 109.1(17) . . ?
C23 P1 Pt1 129.0(19) . . ?
C27 P2 C31 96.1(17) . . ?
C27 P2 C29 94.7(17) . . ?
C31 P2 C29 94.3(18) . . ?
C27 P2 Pt1 125.3(11) . . ?
C31 P2 Pt1 126(2) . . ?
C29 P2 Pt1 112(2) . . ?
C35 P3 C37 111.0(12) . . ?
C35 P3 C33 109.9(11) . . ?
C37 P3 C33 109.5(11) . . ?
C35 P3 Pt2 117.1(12) . . ?
C37 P3 Pt2 100.4(17) . . ?
C33 P3 Pt2 108.5(13) . . ?
C41 P4 C43 110.8(15) . . ?
C41 P4 C39 111.0(12) . . ?
C43 P4 C39 110.9(13) . . ?
C41 P4 Pt2 122.3(14) . . ?
C43 P4 Pt2 80(2) . . ?
C39 P4 Pt2 117.3(13) . . ?
C14 N1 C17 131(2) . . ?
C14 N1 C6 101(3) . . ?
C17 N1 C6 127(2) . . ?
C2 C1 Pt1 176.0(19) . . ?
C1 C2 C3 170(3) . . ?
C4 C3 C2 124(2) . . ?
C4 C3 C8 125(2) . . ?
C2 C3 C8 112(3) . . ?
C5 C4 C3 122(2) . . ?
C4 C5 C6 112(3) . . ?
C7 C6 C5 128(2) . . ?
C7 C6 N1 112(2) . . ?
C5 C6 N1 120(3) . . ?
C6 C7 C8 122(2) . . ?
C6 C7 C15 107.5(19) . . ?
C8 C7 C15 130(2) . . ?
C7 C8 C3 111(3) . . ?
C10 C9 Pt2 173(2) . . ?
C9 C10 C11 171(3) . . ?
C12 C11 C16 127(2) . . ?
C12 C11 C10 123(2) . . ?
C16 C11 C10 110(3) . . ?
C11 C12 C13 120(2) . . ?
C14 C13 C12 114(3) . . ?
C15 C14 N1 115(2) . . ?
C15 C14 C13 125(2) . . ?
N1 C14 C13 120(3) . . ?
C14 C15 C16 122(2) . . ?
C14 C15 C7 104.3(19) . . ?
C16 C15 C7 133(2) . . ?
C15 C16 C11 112(2) . . ?
N1 C17 C18 107.4(19) . . ?
C17 C18 C19 109(3) . . ?
C18 C19 C20 117(3) . . ?
C22 C21 P1 122(4) . . ?
C24 C23 P1 102(4) . . ?
C26 C25 P1 118(4) . . ?
C28 C27 P2 107.5(19) . . ?
C30 C29 P2 115(8) . . ?
C32 C31 P2 92(4) . . ?
C34 C33 P3 103(3) . . ?
C36 C35 P3 96(2) . . ?
C38 C37 P3 128(4) . . ?
C40 C39 P4 102(3) . . ?
C42 C41 P4 117(2) . . ?
C44 C43 P4 109(4) . . ?
C44 C43 Pt2 145(3) . . ?
P4 C43 Pt2 60.5(17) . . ?
O1 C99 C98 158(5) . . ?

_diffrn_measured_fraction_theta_max 0.552
_diffrn_reflns_theta_full        22.94
_diffrn_measured_fraction_theta_full 0.552
_refine_diff_density_max         0.495
_refine_diff_density_min         -0.550
_refine_diff_density_rms         0.096