# Electronic Supplementary Material (ESI) for Chemical Science
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_scs135

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C74 H54 N2 O6 Pt2'
_chemical_formula_weight         1457.37

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'
O O 0.0106 0.0060 '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'

_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                   7.55400(10)
_cell_length_b                   17.9390(4)
_cell_length_c                   21.6527(6)
_cell_angle_alpha                66.669(2)
_cell_angle_beta                 87.131(2)
_cell_angle_gamma                86.992(2)
_cell_volume                     2689.18(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    12508
_cell_measurement_theta_min      3.79
_cell_measurement_theta_max      27.5

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.208
_exptl_crystal_size_mid          0.072
_exptl_crystal_size_min          0.065
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1432
_exptl_absorpt_coefficient_mu    5.260
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.46734
_exptl_absorpt_correction_T_max  0.76261
_exptl_absorpt_process_details   'Alcock(1970) crystallographic computing,p271'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(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  'CCD Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean 19.64
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38377
_diffrn_reflns_av_R_equivalents  0.0658
_diffrn_reflns_av_sigmaI/netI    0.0823
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.79
_diffrn_reflns_theta_max         27.00
_reflns_number_total             11638
_reflns_number_gt                8136
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_cell_refinement       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_data_reduction        
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'

_computing_structure_solution    'SIR-97_(Altomare & al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'MERCURY 2.4.5(CCDC, 2011)'
_computing_publication_material  'WINGX (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^)+(0.0543P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11638
_refine_ls_number_parameters     727
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0819
_refine_ls_R_factor_gt           0.0524
_refine_ls_wR_factor_ref         0.1222
_refine_ls_wR_factor_gt          0.1165
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_restrained_S_all      1.139
_refine_ls_shift/su_max          0.009
_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 0.51761(4) 0.068434(18) 0.685093(16) 0.01621(10) Uani 1 1 d . . .
N1 N 0.5366(9) 0.1828(4) 0.6195(3) 0.0184(15) Uani 1 1 d . . .
O1 O 0.6145(7) 0.0890(3) 0.7659(3) 0.0192(12) Uani 1 1 d . . .
O2 O 0.5137(7) -0.0515(3) 0.7410(3) 0.0193(12) Uani 1 1 d . . .
O3 O 0.2679(8) -0.0868(4) 0.5411(3) 0.0269(14) Uani 1 1 d . . .
C1 C 0.6335(10) 0.2371(5) 0.6308(5) 0.0224(19) Uani 1 1 d . . .
H1 H 0.6762 0.2238 0.6745 0.027 Uiso 1 1 calc R . .
C2 C 0.6720(11) 0.3111(5) 0.5808(5) 0.0237(19) Uani 1 1 d . . .
H2 H 0.7348 0.3498 0.5901 0.028 Uiso 1 1 calc R . .
C3 C 0.6164(11) 0.3281(5) 0.5160(5) 0.0238(19) Uani 1 1 d . . .
H3 H 0.6466 0.3776 0.4800 0.029 Uiso 1 1 calc R . .
C4 C 0.5182(10) 0.2732(5) 0.5045(4) 0.0210(19) Uani 1 1 d . . .
H4 H 0.4808 0.2852 0.4602 0.025 Uiso 1 1 calc R . .
C5 C 0.4719(10) 0.1999(5) 0.5561(4) 0.0175(17) Uani 1 1 d . . .
C6 C 0.3823(10) 0.1325(5) 0.5521(4) 0.0174(17) Uani 1 1 d . . .
C7 C 0.4143(10) 0.0586(5) 0.6076(4) 0.0182(18) Uani 1 1 d . . .
C8 C 0.3689(10) -0.0161(5) 0.6064(4) 0.0185(17) Uani 1 1 d . . .
H8 H 0.3840 -0.0650 0.6451 0.022 Uiso 1 1 calc R . .
C9 C 0.3028(10) -0.0176(5) 0.5490(4) 0.0196(18) Uani 1 1 d . . .
C10 C 0.2625(10) 0.0555(5) 0.4930(4) 0.0200(18) Uani 1 1 d . . .
C11 C 0.2064(11) 0.0526(6) 0.4325(5) 0.028(2) Uani 1 1 d . . .
H11 H 0.1930 0.0014 0.4301 0.034 Uiso 1 1 calc R . .
C12 C 0.1717(11) 0.1212(6) 0.3782(5) 0.028(2) Uani 1 1 d . . .
H12 H 0.1540 0.1187 0.3359 0.034 Uiso 1 1 calc R . .
C13 C 0.1616(11) 0.1976(6) 0.3843(4) 0.025(2) Uani 1 1 d . . .
C14 C 0.1131(12) 0.2683(6) 0.3269(5) 0.033(2) Uani 1 1 d . . .
H14 H 0.0865 0.2635 0.2863 0.040 Uiso 1 1 calc R . .
C15 C 0.1047(13) 0.3418(6) 0.3300(5) 0.039(3) Uani 1 1 d . . .
H15 H 0.0908 0.3894 0.2901 0.047 Uiso 1 1 calc R . .
C16 C 0.1165(13) 0.3484(5) 0.3931(5) 0.030(2) Uani 1 1 d . . .
C17 C 0.1065(14) 0.4252(6) 0.3968(6) 0.043(3) Uani 1 1 d . . .
H17 H 0.0849 0.4720 0.3570 0.052 Uiso 1 1 calc R . .
C18 C 0.1263(12) 0.4346(5) 0.4546(5) 0.033(2) Uani 1 1 d . . .
H18 H 0.1396 0.4873 0.4538 0.040 Uiso 1 1 calc R . .
C19 C 0.1275(11) 0.3650(5) 0.5177(5) 0.026(2) Uani 1 1 d . . .
C20 C 0.1377(11) 0.3746(5) 0.5793(5) 0.028(2) Uani 1 1 d . . .
H20 H 0.1508 0.4272 0.5789 0.034 Uiso 1 1 calc R . .
C21 C 0.1287(11) 0.3091(5) 0.6390(5) 0.026(2) Uani 1 1 d . . .
H21 H 0.1470 0.3157 0.6796 0.031 Uiso 1 1 calc R . .
C22 C 0.0923(11) 0.2307(5) 0.6416(5) 0.0234(19) Uani 1 1 d . . .
C23 C 0.0652(11) 0.1644(5) 0.7037(5) 0.026(2) Uani 1 1 d . . .
H23 H 0.0860 0.1696 0.7447 0.032 Uiso 1 1 calc R . .
C24 C 0.0094(10) 0.0936(5) 0.7046(4) 0.020 Uani 1 1 d . . .
H24 H 0.0007 0.0480 0.7463 0.024 Uiso 1 1 calc R . .
C25 C -0.0333(11) 0.0860(5) 0.6488(5) 0.024 Uani 1 1 d . . .
H25 H -0.0838 0.0373 0.6516 0.028 Uiso 1 1 calc R . .
C26 C -0.0053(11) 0.1479(5) 0.5868(5) 0.026 Uani 1 1 d . . .
H26 H -0.0375 0.1410 0.5476 0.031 Uiso 1 1 calc R . .
C27 C 0.0693(10) 0.2208(5) 0.5800(4) 0.0210(19) Uani 1 1 d . . .
C28 C 0.1150(11) 0.2863(5) 0.5175(5) 0.0214(19) Uani 1 1 d . . .
C29 C 0.1423(11) 0.2772(5) 0.4540(4) 0.0240(19) Uani 1 1 d . . .
C30 C 0.1971(10) 0.2029(5) 0.4455(4) 0.0215(19) Uani 1 1 d . . .
C31 C 0.2831(10) 0.1315(5) 0.4973(4) 0.0199(18) Uani 1 1 d . . .
C32 C 0.5878(11) -0.1786(5) 0.8230(4) 0.0231(19) Uani 1 1 d . . .
H32A H 0.5286 -0.1944 0.7910 0.035 Uiso 1 1 calc R . .
H32B H 0.5233 -0.1995 0.8666 0.035 Uiso 1 1 calc R . .
H32C H 0.7097 -0.2013 0.8286 0.035 Uiso 1 1 calc R . .
C33 C 0.5908(10) -0.0869(5) 0.7967(4) 0.0204(18) Uani 1 1 d . . .
C34 C 0.6668(10) -0.0509(5) 0.8340(4) 0.0185(17) Uani 1 1 d . . .
H34 H 0.7214 -0.0864 0.8742 0.022 Uiso 1 1 calc R . .
C35 C 0.6721(10) 0.0320(5) 0.8193(4) 0.0178(17) Uani 1 1 d . . .
C36 C 0.7558(11) 0.0589(5) 0.8683(4) 0.0218(19) Uani 1 1 d . . .
H36A H 0.7491 0.1183 0.8513 0.033 Uiso 1 1 calc R . .
H36B H 0.8803 0.0398 0.8734 0.033 Uiso 1 1 calc R . .
H36C H 0.6924 0.0361 0.9120 0.033 Uiso 1 1 calc R . .
C37 C 0.2999(12) -0.1621(5) 0.5960(5) 0.027(2) Uani 1 1 d . . .
H37A H 0.2704 -0.2068 0.5835 0.040 Uiso 1 1 calc R . .
H37B H 0.2262 -0.1640 0.6351 0.040 Uiso 1 1 calc R . .
H37C H 0.4254 -0.1675 0.6072 0.040 Uiso 1 1 calc R . .
Pt2 Pt 0.00278(4) 0.233508(18) 1.009269(16) 0.01594(10) Uani 1 1 d . . .
N12 N -0.0036(8) 0.2818(4) 0.9100(3) 0.0149(14) Uani 1 1 d . . .
O41 O -0.0884(7) 0.1206(3) 1.0195(3) 0.0209(13) Uani 1 1 d . . .
O42 O -0.0076(7) 0.1984(3) 1.1100(3) 0.0201(13) Uani 1 1 d . . .
O43 O 0.2236(8) 0.4754(3) 1.0717(3) 0.0249(14) Uani 1 1 d . . .
C41 C -0.0884(10) 0.2487(5) 0.8745(5) 0.0203(19) Uani 1 1 d . . .
H41 H -0.1272 0.1947 0.8968 0.024 Uiso 1 1 calc R . .
C42 C -0.1213(11) 0.2894(5) 0.8078(4) 0.0221(19) Uani 1 1 d . . .
H42 H -0.1783 0.2635 0.7839 0.027 Uiso 1 1 calc R . .
C43 C -0.0703(11) 0.3686(5) 0.7757(4) 0.0237(19) Uani 1 1 d . . .
H43 H -0.0983 0.3989 0.7300 0.028 Uiso 1 1 calc R . .
C44 C 0.0224(10) 0.4040(5) 0.8105(4) 0.0188(18) Uani 1 1 d . . .
H44 H 0.0599 0.4582 0.7880 0.023 Uiso 1 1 calc R . .
C45 C 0.0610(10) 0.3607(5) 0.8782(4) 0.0170(17) Uani 1 1 d . . .
C46 C 0.1368(10) 0.3886(4) 0.9247(4) 0.0161(17) Uani 1 1 d . . .
C47 C 0.0993(10) 0.3395(4) 0.9924(4) 0.0153(17) Uani 1 1 d . . .
C48 C 0.1372(10) 0.3642(5) 1.0442(4) 0.0183(17) Uani 1 1 d . . .
H48 H 0.1219 0.3285 1.0901 0.022 Uiso 1 1 calc R . .
C49 C 0.1977(10) 0.4419(5) 1.0266(4) 0.0188(18) Uani 1 1 d . . .
C50 C 0.2446(10) 0.4904(5) 0.9597(4) 0.0193(18) Uani 1 1 d . . .
C51 C 0.2912(11) 0.5729(5) 0.9427(5) 0.026(2) Uani 1 1 d . . .
H51 H 0.2963 0.5928 0.9772 0.031 Uiso 1 1 calc R . .
C52 C 0.3277(11) 0.6225(5) 0.8783(5) 0.027(2) Uani 1 1 d . . .
H52 H 0.3391 0.6789 0.8669 0.033 Uiso 1 1 calc R . .
C53 C 0.3495(11) 0.5916(5) 0.8271(5) 0.025(2) Uani 1 1 d . . .
C54 C 0.4001(12) 0.6430(5) 0.7609(5) 0.030(2) Uani 1 1 d . . .
H54 H 0.4168 0.6988 0.7507 0.036 Uiso 1 1 calc R . .
C55 C 0.4250(12) 0.6151(5) 0.7124(5) 0.029(2) Uani 1 1 d . . .
H55 H 0.4379 0.6533 0.6672 0.034 Uiso 1 1 calc R . .
C56 C 0.4333(13) 0.5311(5) 0.7252(5) 0.028(2) Uani 1 1 d . . .
C57 C 0.4529(12) 0.5034(6) 0.6752(5) 0.036(3) Uani 1 1 d . . .
H57 H 0.4729 0.5414 0.6303 0.043 Uiso 1 1 calc R . .
C58 C 0.4447(12) 0.4214(6) 0.6871(5) 0.030(2) Uani 1 1 d . . .
H58 H 0.4473 0.4046 0.6506 0.036 Uiso 1 1 calc R . .
C59 C 0.4325(11) 0.3630(5) 0.7549(4) 0.0220(19) Uani 1 1 d . . .
C60 C 0.4193(11) 0.2794(5) 0.7689(5) 0.025(2) Uani 1 1 d . . .
H60 H 0.4151 0.2628 0.7324 0.030 Uiso 1 1 calc R . .
C61 C 0.4125(11) 0.2235(5) 0.8314(5) 0.025(2) Uani 1 1 d . . .
H61 H 0.3893 0.1690 0.8391 0.031 Uiso 1 1 calc R . .
C62 C 0.4394(10) 0.2443(5) 0.8873(5) 0.0199(18) Uani 1 1 d . . .
C63 C 0.4603(10) 0.1848(5) 0.9515(5) 0.0211(19) Uani 1 1 d . . .
H63 H 0.4479 0.1284 0.9628 0.025 Uiso 1 1 calc R . .
C64 C 0.5063(10) 0.2211(5) 1.0026(5) 0.022 Uani 1 1 d . . .
H64 H 0.4920 0.1875 1.0490 0.027 Uiso 1 1 calc R . .
C65 C 0.5532(10) 0.2814(5) 0.9899(4) 0.017 Uani 1 1 d . . .
H65 H 0.6167 0.2915 1.0224 0.021 Uiso 1 1 calc R . .
C66 C 0.5244(11) 0.3456(5) 0.9275(4) 0.0205(18) Uani 1 1 d . . .
H66 H 0.5462 0.4000 0.9208 0.025 Uiso 1 1 calc R . .
C67 C 0.4626(10) 0.3276(5) 0.8750(4) 0.0166(17) Uani 1 1 d . . .
C68 C 0.4271(10) 0.3900(5) 0.8081(4) 0.0200(18) Uani 1 1 d . . .
C69 C 0.3927(11) 0.4741(5) 0.7952(4) 0.0212(19) Uani 1 1 d . . .
C70 C 0.3226(11) 0.5071(5) 0.8435(4) 0.0216(19) Uani 1 1 d . . .
C71 C 0.2333(10) 0.4611(5) 0.9077(4) 0.0181(18) Uani 1 1 d . . .
C72 C -0.0921(12) 0.1296(5) 1.2228(4) 0.026(2) Uani 1 1 d . . .
H72A H -0.0355 0.1762 1.2252 0.039 Uiso 1 1 calc R . .
H72B H -0.0289 0.0793 1.2509 0.039 Uiso 1 1 calc R . .
H72C H -0.2158 0.1284 1.2390 0.039 Uiso 1 1 calc R . .
C73 C -0.0862(10) 0.1369(5) 1.1514(4) 0.0181(17) Uani 1 1 d . . .
C74 C -0.1611(10) 0.0760(5) 1.1364(4) 0.0189(18) Uani 1 1 d . . .
H74 H -0.2234 0.0353 1.1720 0.023 Uiso 1 1 calc R . .
C75 C -0.1522(11) 0.0699(5) 1.0738(5) 0.0211(19) Uani 1 1 d . . .
C76 C -0.2313(12) -0.0031(5) 1.0692(5) 0.030(2) Uani 1 1 d . . .
H76A H -0.2160 0.0001 1.0230 0.045 Uiso 1 1 calc R . .
H76B H -0.3580 -0.0040 1.0815 0.045 Uiso 1 1 calc R . .
H76C H -0.1714 -0.0527 1.1000 0.045 Uiso 1 1 calc R . .
C77 C 0.1859(12) 0.4278(5) 1.1416(5) 0.026(2) Uani 1 1 d . . .
H77A H 0.2099 0.4593 1.1681 0.040 Uiso 1 1 calc R . .
H77B H 0.2611 0.3781 1.1564 0.040 Uiso 1 1 calc R . .
H77C H 0.0609 0.4136 1.1479 0.040 Uiso 1 1 calc R . .

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 0.01847(18) 0.01673(17) 0.01256(18) -0.00448(13) -0.00394(14) -0.00027(13)
N1 0.019(4) 0.022(4) 0.013(4) -0.004(3) -0.006(3) -0.007(3)
O1 0.027(3) 0.015(3) 0.015(3) -0.005(2) -0.005(3) 0.000(2)
O2 0.020(3) 0.019(3) 0.015(3) -0.003(2) 0.000(2) -0.003(2)
O3 0.031(3) 0.030(3) 0.026(4) -0.017(3) -0.009(3) 0.000(3)
C1 0.018(4) 0.031(5) 0.020(5) -0.012(4) -0.009(4) 0.003(4)
C2 0.024(5) 0.020(4) 0.027(5) -0.009(4) -0.001(4) -0.005(4)
C3 0.026(5) 0.017(4) 0.022(5) -0.002(4) 0.002(4) 0.000(4)
C4 0.016(4) 0.028(5) 0.014(4) -0.003(4) -0.006(3) 0.003(3)
C5 0.021(4) 0.013(4) 0.012(4) 0.001(3) -0.001(3) 0.007(3)
C6 0.016(4) 0.024(4) 0.012(4) -0.007(3) 0.000(3) 0.007(3)
C7 0.009(4) 0.025(4) 0.019(5) -0.008(4) -0.001(3) 0.003(3)
C8 0.017(4) 0.019(4) 0.017(4) -0.006(3) -0.004(3) 0.002(3)
C9 0.014(4) 0.025(5) 0.025(5) -0.016(4) 0.002(4) -0.003(3)
C10 0.012(4) 0.030(5) 0.016(5) -0.006(4) -0.004(3) 0.003(3)
C11 0.019(4) 0.039(6) 0.032(6) -0.021(5) -0.001(4) 0.000(4)
C12 0.025(5) 0.042(6) 0.022(5) -0.016(4) -0.010(4) 0.005(4)
C13 0.022(5) 0.037(5) 0.011(4) -0.003(4) -0.002(4) -0.003(4)
C14 0.032(5) 0.042(6) 0.014(5) 0.001(4) -0.005(4) -0.002(4)
C15 0.039(6) 0.044(6) 0.015(5) 0.011(4) -0.003(4) -0.004(5)
C16 0.037(5) 0.024(5) 0.023(5) -0.002(4) -0.004(4) -0.004(4)
C17 0.046(6) 0.036(6) 0.030(6) 0.002(5) 0.003(5) 0.014(5)
C18 0.034(5) 0.013(4) 0.048(7) -0.008(4) -0.005(5) 0.005(4)
C19 0.023(5) 0.029(5) 0.025(5) -0.010(4) 0.000(4) 0.003(4)
C20 0.027(5) 0.019(5) 0.039(6) -0.012(4) -0.008(4) 0.006(4)
C21 0.020(4) 0.032(5) 0.031(5) -0.017(4) -0.001(4) -0.003(4)
C22 0.021(4) 0.025(5) 0.025(5) -0.011(4) -0.004(4) 0.006(4)
C23 0.021(5) 0.035(5) 0.025(5) -0.014(4) -0.006(4) 0.001(4)
C24 0.014 0.025 0.018 -0.005 -0.006 0.004
C25 0.019 0.026 0.028 -0.013 -0.004 0.004
C26 0.022 0.032 0.025 -0.011 -0.005 0.003
C27 0.016(4) 0.027(5) 0.014(4) -0.002(4) -0.008(3) 0.005(3)
C28 0.017(4) 0.020(4) 0.025(5) -0.007(4) -0.004(4) 0.006(3)
C29 0.026(5) 0.022(5) 0.014(5) 0.003(4) -0.003(4) -0.001(4)
C30 0.018(4) 0.027(5) 0.015(4) -0.003(4) -0.001(4) 0.000(3)
C31 0.016(4) 0.028(5) 0.011(4) -0.003(4) -0.004(3) 0.004(3)
C32 0.029(5) 0.018(4) 0.023(5) -0.008(4) -0.006(4) -0.003(4)
C33 0.014(4) 0.030(5) 0.016(5) -0.008(4) 0.000(3) -0.005(3)
C34 0.021(4) 0.015(4) 0.014(4) 0.000(3) -0.002(3) 0.000(3)
C35 0.012(4) 0.026(5) 0.019(5) -0.012(4) 0.001(3) -0.003(3)
C36 0.023(4) 0.029(5) 0.013(4) -0.006(4) -0.005(4) 0.000(4)
C37 0.033(5) 0.017(4) 0.034(6) -0.014(4) -0.006(4) -0.001(4)
Pt2 0.01883(18) 0.01421(17) 0.01346(18) -0.00360(13) -0.00100(14) -0.00368(13)
N12 0.024(4) 0.006(3) 0.018(4) -0.007(3) -0.007(3) 0.000(3)
O41 0.025(3) 0.020(3) 0.018(3) -0.007(3) -0.004(3) -0.005(2)
O42 0.025(3) 0.022(3) 0.012(3) -0.005(2) 0.001(2) -0.011(2)
O43 0.031(3) 0.024(3) 0.022(3) -0.011(3) 0.001(3) -0.005(3)
C41 0.017(4) 0.016(4) 0.029(5) -0.009(4) 0.000(4) -0.001(3)
C42 0.020(4) 0.028(5) 0.024(5) -0.016(4) -0.003(4) -0.006(4)
C43 0.030(5) 0.024(5) 0.016(5) -0.007(4) 0.002(4) -0.004(4)
C44 0.022(4) 0.013(4) 0.018(4) -0.001(3) -0.007(4) 0.001(3)
C45 0.012(4) 0.017(4) 0.016(4) 0.000(3) 0.004(3) -0.002(3)
C46 0.016(4) 0.011(4) 0.021(5) -0.006(3) -0.001(3) -0.001(3)
C47 0.016(4) 0.010(4) 0.020(5) -0.006(3) -0.007(3) -0.002(3)
C48 0.020(4) 0.015(4) 0.019(5) -0.006(3) -0.004(4) 0.000(3)
C49 0.017(4) 0.019(4) 0.023(5) -0.010(4) -0.001(4) -0.003(3)
C50 0.020(4) 0.016(4) 0.020(5) -0.005(3) -0.001(4) -0.006(3)
C51 0.031(5) 0.021(5) 0.031(6) -0.015(4) -0.001(4) -0.005(4)
C52 0.029(5) 0.019(5) 0.031(6) -0.006(4) 0.001(4) -0.008(4)
C53 0.028(5) 0.011(4) 0.029(5) 0.000(4) -0.008(4) -0.005(3)
C54 0.037(5) 0.014(4) 0.030(6) 0.003(4) -0.003(4) -0.007(4)
C55 0.039(5) 0.017(4) 0.018(5) 0.006(4) -0.006(4) -0.004(4)
C56 0.051(6) 0.005(4) 0.033(6) -0.009(4) -0.029(5) 0.005(4)
C57 0.030(5) 0.048(6) 0.009(5) 0.012(4) -0.004(4) -0.006(5)
C58 0.036(5) 0.036(6) 0.020(5) -0.013(4) 0.002(4) -0.004(4)
C59 0.021(4) 0.028(5) 0.019(5) -0.011(4) -0.005(4) 0.004(4)
C60 0.024(5) 0.028(5) 0.026(5) -0.014(4) -0.004(4) 0.005(4)
C61 0.023(5) 0.025(5) 0.030(5) -0.013(4) 0.000(4) 0.002(4)
C62 0.016(4) 0.022(4) 0.028(5) -0.016(4) -0.001(4) 0.000(3)
C63 0.020(4) 0.015(4) 0.029(5) -0.011(4) 0.004(4) 0.000(3)
C64 0.020 0.024 0.029 -0.017 -0.003 0.002
C65 0.012 0.016 0.024 -0.007 0.003 -0.003
C66 0.031(5) 0.007(4) 0.016(4) 0.003(3) 0.004(4) 0.001(3)
C67 0.013(4) 0.015(4) 0.019(5) -0.004(3) 0.004(3) -0.003(3)
C68 0.012(4) 0.029(5) 0.017(5) -0.007(4) -0.002(3) -0.002(3)
C69 0.021(4) 0.021(4) 0.020(5) -0.006(4) -0.006(4) -0.003(3)
C70 0.023(4) 0.016(4) 0.022(5) -0.003(4) -0.001(4) -0.006(3)
C71 0.011(4) 0.016(4) 0.027(5) -0.009(4) -0.001(3) 0.001(3)
C72 0.026(5) 0.027(5) 0.024(5) -0.008(4) -0.004(4) -0.006(4)
C73 0.018(4) 0.018(4) 0.014(4) -0.002(3) -0.002(3) -0.001(3)
C74 0.019(4) 0.016(4) 0.018(5) -0.001(3) -0.003(3) -0.004(3)
C75 0.021(4) 0.014(4) 0.024(5) -0.002(4) -0.008(4) -0.002(3)
C76 0.035(5) 0.023(5) 0.028(5) -0.006(4) -0.005(4) -0.012(4)
C77 0.031(5) 0.029(5) 0.023(5) -0.013(4) 0.002(4) -0.006(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 C7 1.959(8) . ?
Pt1 N1 1.987(7) . ?
Pt1 O2 2.008(5) . ?
Pt1 O1 2.097(5) . ?
N1 C5 1.391(10) . ?
N1 C1 1.351(10) . ?
O1 C35 1.280(10) . ?
O2 C33 1.272(10) . ?
O3 C9 1.359(9) . ?
O3 C37 1.421(10) . ?
C1 C2 1.375(12) . ?
C1 H1 0.9500 . ?
C2 C3 1.394(12) . ?
C2 H2 0.9500 . ?
C3 C4 1.368(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.451(11) . ?
C6 C7 1.412(11) . ?
C6 C31 1.441(11) . ?
C7 C8 1.410(11) . ?
C8 C9 1.373(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.420(12) . ?
C10 C31 1.419(11) . ?
C10 C11 1.420(12) . ?
C11 C12 1.348(13) . ?
C11 H11 0.9500 . ?
C12 C13 1.425(12) . ?
C12 H12 0.9500 . ?
C13 C30 1.406(12) . ?
C13 C14 1.427(12) . ?
C14 C15 1.343(14) . ?
C14 H14 0.9500 . ?
C15 C16 1.425(14) . ?
C15 H15 0.9500 . ?
C16 C29 1.439(12) . ?
C16 C17 1.409(13) . ?
C17 C18 1.343(14) . ?
C17 H17 0.9500 . ?
C18 C19 1.440(13) . ?
C18 H18 0.9500 . ?
C19 C28 1.422(12) . ?
C19 C20 1.418(13) . ?
C20 C21 1.362(13) . ?
C20 H20 0.9500 . ?
C21 C22 1.425(12) . ?
C21 H21 0.9500 . ?
C22 C23 1.412(12) . ?
C22 C27 1.434(12) . ?
C23 C24 1.353(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.324(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.376(13) . ?
C25 H25 0.9500 . ?
C26 C27 1.403(12) . ?
C26 H26 0.9500 . ?
C27 C28 1.438(12) . ?
C28 C29 1.452(12) . ?
C29 C30 1.453(12) . ?
C30 C31 1.473(11) . ?
C32 C33 1.515(11) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.378(11) . ?
C34 C35 1.394(11) . ?
C34 H34 0.9500 . ?
C35 C36 1.504(11) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
Pt2 C47 1.963(7) . ?
Pt2 N12 1.975(7) . ?
Pt2 O42 2.015(6) . ?
Pt2 O41 2.099(5) . ?
N12 C41 1.344(10) . ?
N12 C45 1.409(10) . ?
O41 C75 1.259(10) . ?
O42 C73 1.266(9) . ?
O43 C49 1.360(10) . ?
O43 C77 1.434(10) . ?
C41 C42 1.365(12) . ?
C41 H41 0.9500 . ?
C42 C43 1.378(11) . ?
C42 H42 0.9500 . ?
C43 C44 1.394(11) . ?
C43 H43 0.9500 . ?
C44 C45 1.398(11) . ?
C44 H44 0.9500 . ?
C45 C46 1.441(11) . ?
C46 C47 1.402(11) . ?
C46 C71 1.433(10) . ?
C47 C48 1.405(11) . ?
C48 C49 1.388(10) . ?
C48 H48 0.9500 . ?
C49 C50 1.403(12) . ?
C50 C71 1.426(11) . ?
C50 C51 1.436(11) . ?
C51 C52 1.348(13) . ?
C51 H51 0.9500 . ?
C52 C53 1.421(13) . ?
C52 H52 0.9500 . ?
C53 C54 1.409(12) . ?
C53 C70 1.437(11) . ?
C54 C55 1.333(13) . ?
C54 H54 0.9500 . ?
C55 C56 1.419(11) . ?
C55 H55 0.9500 . ?
C56 C57 1.357(13) . ?
C56 C69 1.483(13) . ?
C57 C58 1.393(13) . ?
C57 H57 0.9500 . ?
C58 C59 1.428(12) . ?
C58 H58 0.9500 . ?
C59 C68 1.415(12) . ?
C59 C60 1.414(11) . ?
C60 C61 1.329(12) . ?
C60 H60 0.9500 . ?
C61 C62 1.426(12) . ?
C61 H61 0.9500 . ?
C62 C63 1.388(12) . ?
C62 C67 1.429(11) . ?
C63 C64 1.550(11) . ?
C63 H63 0.9500 . ?
C64 C65 1.080(10) . ?
C64 H64 0.9500 . ?
C65 C66 1.404(11) . ?
C65 H65 0.9500 . ?
C66 C67 1.404(12) . ?
C66 H66 0.9500 . ?
C67 C68 1.465(11) . ?
C68 C69 1.433(11) . ?
C69 C70 1.459(12) . ?
C70 C71 1.457(12) . ?
C72 C73 1.498(12) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.409(11) . ?
C74 C75 1.400(12) . ?
C74 H74 0.9500 . ?
C75 C76 1.508(11) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?

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
C7 Pt1 N1 81.1(3) . . ?
C7 Pt1 O2 93.5(3) . . ?
N1 Pt1 O2 171.9(2) . . ?
C7 Pt1 O1 174.8(3) . . ?
N1 Pt1 O1 95.0(2) . . ?
O2 Pt1 O1 90.7(2) . . ?
C5 N1 C1 120.8(7) . . ?
C5 N1 Pt1 115.7(5) . . ?
C1 N1 Pt1 122.5(6) . . ?
C35 O1 Pt1 123.3(5) . . ?
C33 O2 Pt1 124.5(5) . . ?
C9 O3 C37 117.9(6) . . ?
N1 C1 C2 122.0(8) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
C1 C2 C3 118.3(8) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 H2 120.8 . . ?
C4 C3 C2 119.8(8) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 121.6(8) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 H4 119.2 . . ?
N1 C5 C4 117.4(7) . . ?
N1 C5 C6 113.2(7) . . ?
C4 C5 C6 128.9(8) . . ?
C7 C6 C31 118.7(7) . . ?
C7 C6 C5 112.9(7) . . ?
C31 C6 C5 128.2(7) . . ?
C8 C7 C6 120.9(8) . . ?
C8 C7 Pt1 123.6(6) . . ?
C6 C7 Pt1 115.5(6) . . ?
C9 C8 C7 119.7(8) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
O3 C9 C8 124.1(8) . . ?
O3 C9 C10 115.0(7) . . ?
C8 C9 C10 121.0(7) . . ?
C31 C10 C9 119.8(7) . . ?
C31 C10 C11 120.2(8) . . ?
C9 C10 C11 120.0(8) . . ?
C12 C11 C10 121.1(8) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C11 C12 C13 119.9(8) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C30 C13 C12 120.8(8) . . ?
C30 C13 C14 120.9(9) . . ?
C12 C13 C14 118.4(8) . . ?
C15 C14 C13 120.4(9) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C16 120.1(9) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C29 120.9(8) . . ?
C15 C16 C17 120.4(9) . . ?
C29 C16 C17 118.8(9) . . ?
C18 C17 C16 122.4(9) . . ?
C18 C17 H17 118.8 . . ?
C16 C17 H17 118.8 . . ?
C17 C18 C19 120.2(9) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C28 C19 C20 120.2(8) . . ?
C28 C19 C18 119.0(8) . . ?
C20 C19 C18 120.7(8) . . ?
C21 C20 C19 120.5(8) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C20 C21 C22 121.1(9) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 H21 119.5 . . ?
C23 C22 C21 121.2(8) . . ?
C23 C22 C27 119.5(8) . . ?
C21 C22 C27 119.1(8) . . ?
C22 C23 C24 119.8(8) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C25 C24 C23 121.7(9) . . ?
C25 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
C24 C25 C26 120.8(9) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C25 C26 C27 121.8(9) . . ?
C25 C26 H26 119.1 . . ?
C27 C26 H26 119.1 . . ?
C26 C27 C28 125.8(8) . . ?
C26 C27 C22 115.6(8) . . ?
C28 C27 C22 118.6(8) . . ?
C19 C28 C27 117.9(8) . . ?
C19 C28 C29 118.2(8) . . ?
C27 C28 C29 123.8(8) . . ?
C16 C29 C30 116.2(8) . . ?
C16 C29 C28 117.6(8) . . ?
C30 C29 C28 126.2(7) . . ?
C13 C30 C29 118.0(7) . . ?
C13 C30 C31 117.4(8) . . ?
C29 C30 C31 124.6(8) . . ?
C10 C31 C6 117.9(7) . . ?
C10 C31 C30 116.6(7) . . ?
C6 C31 C30 125.5(8) . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O2 C33 C34 127.3(8) . . ?
O2 C33 C32 113.1(7) . . ?
C34 C33 C32 119.6(7) . . ?
C33 C34 C35 127.1(8) . . ?
C33 C34 H34 116.5 . . ?
C35 C34 H34 116.5 . . ?
O1 C35 C34 125.4(7) . . ?
O1 C35 C36 115.7(7) . . ?
C34 C35 C36 118.8(7) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O3 C37 H37A 109.5 . . ?
O3 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O3 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C47 Pt2 N12 81.0(3) . . ?
C47 Pt2 O42 93.9(3) . . ?
N12 Pt2 O42 172.2(2) . . ?
C47 Pt2 O41 174.9(3) . . ?
N12 Pt2 O41 94.8(2) . . ?
O42 Pt2 O41 90.5(2) . . ?
C41 N12 C45 120.2(7) . . ?
C41 N12 Pt2 123.2(5) . . ?
C45 N12 Pt2 115.8(5) . . ?
C75 O41 Pt2 123.2(5) . . ?
C73 O42 Pt2 125.3(5) . . ?
C49 O43 C77 118.2(6) . . ?
N12 C41 C42 122.8(8) . . ?
N12 C41 H41 118.6 . . ?
C42 C41 H41 118.6 . . ?
C41 C42 C43 118.9(8) . . ?
C41 C42 H42 120.6 . . ?
C43 C42 H42 120.6 . . ?
C42 C43 C44 119.7(8) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C43 C44 C45 120.8(8) . . ?
C43 C44 H44 119.6 . . ?
C45 C44 H44 119.6 . . ?
N12 C45 C44 117.4(7) . . ?
N12 C45 C46 112.7(7) . . ?
C44 C45 C46 129.3(7) . . ?
C47 C46 C71 119.9(7) . . ?
C47 C46 C45 113.6(7) . . ?
C71 C46 C45 126.5(8) . . ?
C48 C47 C46 121.4(7) . . ?
C48 C47 Pt2 123.0(6) . . ?
C46 C47 Pt2 115.5(6) . . ?
C49 C48 C47 118.3(8) . . ?
C49 C48 H48 120.8 . . ?
C47 C48 H48 120.8 . . ?
O43 C49 C48 123.9(8) . . ?
O43 C49 C50 115.1(7) . . ?
C48 C49 C50 120.9(8) . . ?
C49 C50 C71 121.0(7) . . ?
C49 C50 C51 119.1(8) . . ?
C71 C50 C51 119.7(8) . . ?
C52 C51 C50 120.7(8) . . ?
C52 C51 H51 119.7 . . ?
C50 C51 H51 119.7 . . ?
C51 C52 C53 121.0(8) . . ?
C51 C52 H52 119.5 . . ?
C53 C52 H52 119.5 . . ?
C52 C53 C54 120.4(8) . . ?
C52 C53 C70 119.6(8) . . ?
C54 C53 C70 120.0(8) . . ?
C55 C54 C53 121.6(8) . . ?
C55 C54 H54 119.2 . . ?
C53 C54 H54 119.2 . . ?
C54 C55 C56 123.0(8) . . ?
C54 C55 H55 118.5 . . ?
C56 C55 H55 118.5 . . ?
C57 C56 C55 122.6(9) . . ?
C57 C56 C69 120.1(7) . . ?
C55 C56 C69 116.7(8) . . ?
C58 C57 C56 122.6(8) . . ?
C58 C57 H57 118.7 . . ?
C56 C57 H57 118.7 . . ?
C57 C58 C59 119.1(8) . . ?
C57 C58 H58 120.5 . . ?
C59 C58 H58 120.5 . . ?
C68 C59 C58 119.1(8) . . ?
C68 C59 C60 120.1(8) . . ?
C58 C59 C60 120.7(8) . . ?
C61 C60 C59 122.0(8) . . ?
C61 C60 H60 119.0 . . ?
C59 C60 H60 119.0 . . ?
C60 C61 C62 120.9(8) . . ?
C60 C61 H61 119.6 . . ?
C62 C61 H61 119.6 . . ?
C63 C62 C67 120.0(7) . . ?
C63 C62 C61 121.2(8) . . ?
C67 C62 C61 118.6(8) . . ?
C62 C63 C64 112.0(7) . . ?
C62 C63 H63 124.0 . . ?
C64 C63 H63 124.0 . . ?
C65 C64 C63 125.6(10) . . ?
C65 C64 H64 117.2 . . ?
C63 C64 H64 117.2 . . ?
C64 C65 C66 122.9(9) . . ?
C64 C65 H65 118.5 . . ?
C66 C65 H65 118.5 . . ?
C67 C66 C65 118.4(7) . . ?
C67 C66 H66 120.8 . . ?
C65 C66 H66 120.8 . . ?
C66 C67 C62 118.1(7) . . ?
C66 C67 C68 122.9(7) . . ?
C62 C67 C68 119.0(7) . . ?
C59 C68 C69 120.5(8) . . ?
C59 C68 C67 115.9(7) . . ?
C69 C68 C67 123.6(7) . . ?
C68 C69 C70 126.4(8) . . ?
C68 C69 C56 114.9(7) . . ?
C70 C69 C56 118.7(7) . . ?
C53 C70 C69 116.9(8) . . ?
C53 C70 C71 117.5(8) . . ?
C69 C70 C71 125.6(7) . . ?
C50 C71 C46 116.2(8) . . ?
C50 C71 C70 116.9(7) . . ?
C46 C71 C70 126.9(8) . . ?
C73 C72 H72A 109.5 . . ?
C73 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C73 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
O42 C73 C74 126.3(8) . . ?
O42 C73 C72 114.8(7) . . ?
C74 C73 C72 118.9(7) . . ?
C75 C74 C73 126.0(8) . . ?
C75 C74 H74 117.0 . . ?
C73 C74 H74 117.0 . . ?
O41 C75 C74 126.7(7) . . ?
O41 C75 C76 115.4(8) . . ?
C74 C75 C76 117.8(8) . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
O43 C77 H77A 109.5 . . ?
O43 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
O43 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?

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
C7 Pt1 N1 C5 0.6(6) . . . . ?
O2 Pt1 N1 C5 49.2(19) . . . . ?
O1 Pt1 N1 C5 -175.8(6) . . . . ?
C7 Pt1 N1 C1 -167.9(7) . . . . ?
O2 Pt1 N1 C1 -119.4(16) . . . . ?
O1 Pt1 N1 C1 15.7(7) . . . . ?
C7 Pt1 O1 C35 155(3) . . . . ?
N1 Pt1 O1 C35 -162.8(6) . . . . ?
O2 Pt1 O1 C35 11.5(6) . . . . ?
C7 Pt1 O2 C33 169.2(6) . . . . ?
N1 Pt1 O2 C33 121.3(16) . . . . ?
O1 Pt1 O2 C33 -14.0(6) . . . . ?
C5 N1 C1 C2 0.1(12) . . . . ?
Pt1 N1 C1 C2 168.1(6) . . . . ?
N1 C1 C2 C3 -3.4(13) . . . . ?
C1 C2 C3 C4 3.3(12) . . . . ?
C2 C3 C4 C5 -0.1(13) . . . . ?
C1 N1 C5 C4 3.1(11) . . . . ?
Pt1 N1 C5 C4 -165.7(6) . . . . ?
C1 N1 C5 C6 175.7(7) . . . . ?
Pt1 N1 C5 C6 6.9(8) . . . . ?
C3 C4 C5 N1 -3.1(12) . . . . ?
C3 C4 C5 C6 -174.4(8) . . . . ?
N1 C5 C6 C7 -13.6(10) . . . . ?
C4 C5 C6 C7 157.9(8) . . . . ?
N1 C5 C6 C31 172.5(7) . . . . ?
C4 C5 C6 C31 -16.0(14) . . . . ?
C31 C6 C7 C8 7.4(11) . . . . ?
C5 C6 C7 C8 -167.2(7) . . . . ?
C31 C6 C7 Pt1 -171.0(6) . . . . ?
C5 C6 C7 Pt1 14.5(9) . . . . ?
N1 Pt1 C7 C8 173.2(7) . . . . ?
O2 Pt1 C7 C8 -0.7(7) . . . . ?
O1 Pt1 C7 C8 -144(3) . . . . ?
N1 Pt1 C7 C6 -8.5(6) . . . . ?
O2 Pt1 C7 C6 177.6(6) . . . . ?
O1 Pt1 C7 C6 34(3) . . . . ?
C6 C7 C8 C9 4.1(12) . . . . ?
Pt1 C7 C8 C9 -177.7(6) . . . . ?
C37 O3 C9 C8 0.7(11) . . . . ?
C37 O3 C9 C10 -178.1(7) . . . . ?
C7 C8 C9 O3 174.8(7) . . . . ?
C7 C8 C9 C10 -6.4(12) . . . . ?
O3 C9 C10 C31 176.0(7) . . . . ?
C8 C9 C10 C31 -2.9(12) . . . . ?
O3 C9 C10 C11 -5.6(11) . . . . ?
C8 C9 C10 C11 175.5(7) . . . . ?
C31 C10 C11 C12 0.0(13) . . . . ?
C9 C10 C11 C12 -178.3(8) . . . . ?
C10 C11 C12 C13 -10.7(13) . . . . ?
C11 C12 C13 C30 3.5(13) . . . . ?
C11 C12 C13 C14 -175.9(8) . . . . ?
C30 C13 C14 C15 1.6(14) . . . . ?
C12 C13 C14 C15 -178.9(9) . . . . ?
C13 C14 C15 C16 -9.9(14) . . . . ?
C14 C15 C16 C29 1.7(14) . . . . ?
C14 C15 C16 C17 -179.5(9) . . . . ?
C15 C16 C17 C18 -176.4(10) . . . . ?
C29 C16 C17 C18 2.4(15) . . . . ?
C16 C17 C18 C19 -11.1(15) . . . . ?
C17 C18 C19 C28 2.6(13) . . . . ?
C17 C18 C19 C20 -176.2(9) . . . . ?
C28 C19 C20 C21 -2.5(13) . . . . ?
C18 C19 C20 C21 176.3(8) . . . . ?
C19 C20 C21 C22 -6.0(13) . . . . ?
C20 C21 C22 C23 -173.5(8) . . . . ?
C20 C21 C22 C27 1.6(12) . . . . ?
C21 C22 C23 C24 171.9(8) . . . . ?
C27 C22 C23 C24 -3.3(12) . . . . ?
C22 C23 C24 C25 -5.0(13) . . . . ?
C23 C24 C25 C26 6.6(13) . . . . ?
C24 C25 C26 C27 0.2(13) . . . . ?
C25 C26 C27 C28 175.3(8) . . . . ?
C25 C26 C27 C22 -8.0(12) . . . . ?
C23 C22 C27 C26 9.3(11) . . . . ?
C21 C22 C27 C26 -165.9(7) . . . . ?
C23 C22 C27 C28 -173.7(7) . . . . ?
C21 C22 C27 C28 11.0(11) . . . . ?
C20 C19 C28 C27 15.0(12) . . . . ?
C18 C19 C28 C27 -163.8(8) . . . . ?
C20 C19 C28 C29 -167.3(8) . . . . ?
C18 C19 C28 C29 13.9(12) . . . . ?
C26 C27 C28 C19 157.6(8) . . . . ?
C22 C27 C28 C19 -19.1(11) . . . . ?
C26 C27 C28 C29 -20.0(13) . . . . ?
C22 C27 C28 C29 163.4(8) . . . . ?
C15 C16 C29 C30 14.2(13) . . . . ?
C17 C16 C29 C30 -164.6(8) . . . . ?
C15 C16 C29 C28 -167.0(8) . . . . ?
C17 C16 C29 C28 14.2(13) . . . . ?
C19 C28 C29 C16 -22.1(12) . . . . ?
C27 C28 C29 C16 155.5(8) . . . . ?
C19 C28 C29 C30 156.6(8) . . . . ?
C27 C28 C29 C30 -25.8(13) . . . . ?
C12 C13 C30 C29 -164.8(8) . . . . ?
C14 C13 C30 C29 14.6(12) . . . . ?
C12 C13 C30 C31 13.6(12) . . . . ?
C14 C13 C30 C31 -167.0(8) . . . . ?
C16 C29 C30 C13 -21.8(12) . . . . ?
C28 C29 C30 C13 159.4(8) . . . . ?
C16 C29 C30 C31 160.0(8) . . . . ?
C28 C29 C30 C31 -18.8(13) . . . . ?
C9 C10 C31 C6 14.1(11) . . . . ?
C11 C10 C31 C6 -164.2(7) . . . . ?
C9 C10 C31 C30 -164.7(7) . . . . ?
C11 C10 C31 C30 16.9(11) . . . . ?
C7 C6 C31 C10 -16.2(11) . . . . ?
C5 C6 C31 C10 157.4(8) . . . . ?
C7 C6 C31 C30 162.5(8) . . . . ?
C5 C6 C31 C30 -23.9(13) . . . . ?
C13 C30 C31 C10 -23.3(11) . . . . ?
C29 C30 C31 C10 154.9(8) . . . . ?
C13 C30 C31 C6 158.0(8) . . . . ?
C29 C30 C31 C6 -23.8(13) . . . . ?
Pt1 O2 C33 C34 10.6(12) . . . . ?
Pt1 O2 C33 C32 -171.9(5) . . . . ?
O2 C33 C34 C35 1.3(14) . . . . ?
C32 C33 C34 C35 -176.1(8) . . . . ?
Pt1 O1 C35 C34 -5.2(11) . . . . ?
Pt1 O1 C35 C36 173.2(5) . . . . ?
C33 C34 C35 O1 -4.1(14) . . . . ?
C33 C34 C35 C36 177.7(8) . . . . ?
C47 Pt2 N12 C41 -168.7(7) . . . . ?
O42 Pt2 N12 C41 -118.7(16) . . . . ?
O41 Pt2 N12 C41 14.2(6) . . . . ?
C47 Pt2 N12 C45 1.0(5) . . . . ?
O42 Pt2 N12 C45 51.0(19) . . . . ?
O41 Pt2 N12 C45 -176.0(5) . . . . ?
C47 Pt2 O41 C75 163(3) . . . . ?
N12 Pt2 O41 C75 -162.0(6) . . . . ?
O42 Pt2 O41 C75 12.3(6) . . . . ?
C47 Pt2 O42 C73 168.5(6) . . . . ?
N12 Pt2 O42 C73 119.2(17) . . . . ?
O41 Pt2 O42 C73 -14.0(6) . . . . ?
C45 N12 C41 C42 -2.1(12) . . . . ?
Pt2 N12 C41 C42 167.2(6) . . . . ?
N12 C41 C42 C43 -2.0(13) . . . . ?
C41 C42 C43 C44 3.7(12) . . . . ?
C42 C43 C44 C45 -1.5(13) . . . . ?
C41 N12 C45 C44 4.3(11) . . . . ?
Pt2 N12 C45 C44 -165.8(6) . . . . ?
C41 N12 C45 C46 175.9(7) . . . . ?
Pt2 N12 C45 C46 5.8(8) . . . . ?
C43 C44 C45 N12 -2.5(12) . . . . ?
C43 C44 C45 C46 -172.4(8) . . . . ?
N12 C45 C46 C47 -12.1(9) . . . . ?
C44 C45 C46 C47 158.2(8) . . . . ?
N12 C45 C46 C71 171.5(7) . . . . ?
C44 C45 C46 C71 -18.2(13) . . . . ?
C71 C46 C47 C48 7.1(11) . . . . ?
C45 C46 C47 C48 -169.5(7) . . . . ?
C71 C46 C47 Pt2 -170.0(6) . . . . ?
C45 C46 C47 Pt2 13.3(9) . . . . ?
N12 Pt2 C47 C48 175.0(7) . . . . ?
O42 Pt2 C47 C48 0.9(7) . . . . ?
O41 Pt2 C47 C48 -149(3) . . . . ?
N12 Pt2 C47 C46 -8.0(6) . . . . ?
O42 Pt2 C47 C46 178.0(6) . . . . ?
O41 Pt2 C47 C46 28(3) . . . . ?
C46 C47 C48 C49 6.0(11) . . . . ?
Pt2 C47 C48 C49 -177.1(6) . . . . ?
C77 O43 C49 C48 -0.2(11) . . . . ?
C77 O43 C49 C50 -177.3(7) . . . . ?
C47 C48 C49 O43 173.8(7) . . . . ?
C47 C48 C49 C50 -9.2(12) . . . . ?
O43 C49 C50 C71 176.6(7) . . . . ?
C48 C49 C50 C71 -0.6(12) . . . . ?
O43 C49 C50 C51 -8.3(11) . . . . ?
C48 C49 C50 C51 174.4(7) . . . . ?
C49 C50 C51 C52 -176.4(8) . . . . ?
C71 C50 C51 C52 -1.3(13) . . . . ?
C50 C51 C52 C53 -10.3(13) . . . . ?
C51 C52 C53 C54 -175.5(9) . . . . ?
C51 C52 C53 C70 3.5(13) . . . . ?
C52 C53 C54 C55 178.6(9) . . . . ?
C70 C53 C54 C55 -0.4(14) . . . . ?
C53 C54 C55 C56 -11.2(15) . . . . ?
C54 C55 C56 C57 177.8(9) . . . . ?
C54 C55 C56 C69 6.7(13) . . . . ?
C55 C56 C57 C58 -174.0(9) . . . . ?
C69 C56 C57 C58 -3.1(14) . . . . ?
C56 C57 C58 C59 -6.2(14) . . . . ?
C57 C58 C59 C68 0.6(13) . . . . ?
C57 C58 C59 C60 178.3(8) . . . . ?
C68 C59 C60 C61 -4.2(13) . . . . ?
C58 C59 C60 C61 178.2(8) . . . . ?
C59 C60 C61 C62 -7.5(13) . . . . ?
C60 C61 C62 C63 -169.7(8) . . . . ?
C60 C61 C62 C67 4.0(12) . . . . ?
C67 C62 C63 C64 0.7(11) . . . . ?
C61 C62 C63 C64 174.3(7) . . . . ?
C62 C63 C64 C65 -16.3(12) . . . . ?
C63 C64 C65 C66 22.3(14) . . . . ?
C64 C65 C66 C67 -12.4(13) . . . . ?
C65 C66 C67 C62 -2.6(11) . . . . ?
C65 C66 C67 C68 179.6(7) . . . . ?
C63 C62 C67 C66 6.5(11) . . . . ?
C61 C62 C67 C66 -167.3(7) . . . . ?
C63 C62 C67 C68 -175.5(7) . . . . ?
C61 C62 C67 C68 10.7(11) . . . . ?
C58 C59 C68 C69 14.5(12) . . . . ?
C60 C59 C68 C69 -163.2(8) . . . . ?
C58 C59 C68 C67 -164.1(8) . . . . ?
C60 C59 C68 C67 18.2(11) . . . . ?
C66 C67 C68 C59 156.6(8) . . . . ?
C62 C67 C68 C59 -21.3(11) . . . . ?
C66 C67 C68 C69 -22.0(12) . . . . ?
C62 C67 C68 C69 160.2(7) . . . . ?
C59 C68 C69 C70 157.0(8) . . . . ?
C67 C68 C69 C70 -24.6(12) . . . . ?
C59 C68 C69 C56 -22.8(11) . . . . ?
C67 C68 C69 C56 155.7(8) . . . . ?
C57 C56 C69 C68 17.2(12) . . . . ?
C55 C56 C69 C68 -171.4(7) . . . . ?
C57 C56 C69 C70 -162.5(8) . . . . ?
C55 C56 C69 C70 8.8(12) . . . . ?
C52 C53 C70 C69 -163.6(8) . . . . ?
C54 C53 C70 C69 15.3(12) . . . . ?
C52 C53 C70 C71 14.5(12) . . . . ?
C54 C53 C70 C71 -166.6(8) . . . . ?
C68 C69 C70 C53 161.1(8) . . . . ?
C56 C69 C70 C53 -19.2(11) . . . . ?
C68 C69 C70 C71 -16.8(13) . . . . ?
C56 C69 C70 C71 162.9(8) . . . . ?
C49 C50 C71 C46 13.2(11) . . . . ?
C51 C50 C71 C46 -161.8(7) . . . . ?
C49 C50 C71 C70 -166.0(8) . . . . ?
C51 C50 C71 C70 19.0(11) . . . . ?
C47 C46 C71 C50 -16.2(11) . . . . ?
C45 C46 C71 C50 159.9(7) . . . . ?
C47 C46 C71 C70 162.9(8) . . . . ?
C45 C46 C71 C70 -21.0(13) . . . . ?
C53 C70 C71 C50 -25.2(11) . . . . ?
C69 C70 C71 C50 152.7(8) . . . . ?
C53 C70 C71 C46 155.7(8) . . . . ?
C69 C70 C71 C46 -26.4(13) . . . . ?
Pt2 O42 C73 C74 8.7(11) . . . . ?
Pt2 O42 C73 C72 -173.2(5) . . . . ?
O42 C73 C74 C75 4.3(14) . . . . ?
C72 C73 C74 C75 -173.7(8) . . . . ?
Pt2 O41 C75 C74 -5.3(12) . . . . ?
Pt2 O41 C75 C76 172.7(5) . . . . ?
C73 C74 C75 O41 -5.9(14) . . . . ?
C73 C74 C75 C76 176.2(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         9.811
_refine_diff_density_min         -1.439
_refine_diff_density_rms         0.245


_database_code_depnum_ccdc_archive 'CCDC 869338'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_scs016

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H21 N O'
_chemical_formula_weight         435.50

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/a

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, z'

_cell_length_a                   8.5103(8)
_cell_length_b                   30.003(2)
_cell_length_c                   9.1190(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.410(10)
_cell_angle_gamma                90.00
_cell_volume                     2152.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             912
_exptl_absorpt_coefficient_mu    0.081
_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      120(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  'CCD Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean 19.64
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16034
_diffrn_reflns_av_R_equivalents  0.0871
_diffrn_reflns_av_sigmaI/netI    0.1609
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.68
_diffrn_reflns_theta_max         26.99
_reflns_number_total             4703
_reflns_number_gt                2154
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_cell_refinement       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_data_reduction        
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_structure_solution    'SIR-97_(Altomare & al., 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON_(Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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^ > 2\s(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^)+(0.0220P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0030(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         4703
_refine_ls_number_parameters     308
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1255
_refine_ls_R_factor_gt           0.0423
_refine_ls_wR_factor_ref         0.0715
_refine_ls_wR_factor_gt          0.0599
_refine_ls_goodness_of_fit_ref   0.714
_refine_ls_restrained_S_all      0.714
_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
O1 O 0.65848(17) 0.47816(4) 0.66169(14) 0.0303(4) Uani 1 1 d . . .
N1 N 1.2366(2) 0.62852(5) 0.79091(17) 0.0228(4) Uani 1 1 d . . .
C1 C 1.3850(2) 0.65085(6) 0.8527(2) 0.0277(5) Uani 1 1 d . . .
H1 H 1.4167 0.6689 0.7828 0.033 Uiso 1 1 calc R . .
C2 C 1.4938(2) 0.64949(6) 1.0096(2) 0.0285(5) Uani 1 1 d . . .
H2 H 1.5960 0.6663 1.0467 0.034 Uiso 1 1 calc R . .
C3 C 1.4493(2) 0.62278(6) 1.1112(2) 0.0264(5) Uani 1 1 d . . .
H3 H 1.5224 0.6203 1.2197 0.032 Uiso 1 1 calc R . .
C4 C 1.2975(2) 0.59968(6) 1.0532(2) 0.0197(5) Uani 1 1 d . . .
H4 H 1.2648 0.5813 1.1217 0.024 Uiso 1 1 calc R . .
C5 C 1.1924(2) 0.60360(6) 0.8928(2) 0.0187(5) Uani 1 1 d . . .
C6 C 1.0315(2) 0.57746(6) 0.8235(2) 0.0165(5) Uani 1 1 d . . .
C7 C 1.0087(2) 0.55421(6) 0.6873(2) 0.0220(5) Uani 1 1 d . . .
H7 H 1.0823 0.5603 0.6333 0.026 Uiso 1 1 calc R . .
C8 C 0.8809(2) 0.52178(6) 0.6240(2) 0.0234(5) Uani 1 1 d . . .
H8 H 0.8645 0.5076 0.5261 0.028 Uiso 1 1 calc R . .
C9 C 0.7813(2) 0.51112(6) 0.7057(2) 0.0227(5) Uani 1 1 d . . .
C10 C 0.7970(2) 0.53420(6) 0.8472(2) 0.0206(5) Uani 1 1 d . . .
C11 C 0.7034(2) 0.51977(6) 0.9393(2) 0.0255(5) Uani 1 1 d . . .
H11 H 0.6188 0.4974 0.8991 0.031 Uiso 1 1 calc R . .
C12 C 0.7344(2) 0.53780(6) 1.0830(2) 0.0261(5) Uani 1 1 d . . .
H12 H 0.6842 0.5250 1.1499 0.031 Uiso 1 1 calc R . .
C13 C 0.8414(2) 0.57578(6) 1.1362(2) 0.0204(5) Uani 1 1 d . . .
C14 C 0.8785(2) 0.59325(6) 1.2908(2) 0.0252(5) Uani 1 1 d . . .
H14 H 0.8271 0.5802 1.3565 0.030 Uiso 1 1 calc R . .
C15 C 0.9857(2) 0.62810(6) 1.3458(2) 0.0236(5) Uani 1 1 d . . .
H15 H 1.0245 0.6361 1.4547 0.028 Uiso 1 1 calc R . .
C16 C 1.0408(2) 0.65291(6) 1.2407(2) 0.0204(5) Uani 1 1 d . . .
C17 C 1.1527(3) 0.68950(6) 1.2983(2) 0.0262(5) Uani 1 1 d . . .
H17 H 1.1930 0.6970 1.4077 0.031 Uiso 1 1 calc R . .
C18 C 1.2027(2) 0.71394(6) 1.1987(2) 0.0267(5) Uani 1 1 d . . .
H18 H 1.2901 0.7355 1.2408 0.032 Uiso 1 1 calc R . .
C19 C 1.1256(2) 0.70755(6) 1.0321(2) 0.0191(5) Uani 1 1 d . . .
C20 C 1.1686(2) 0.73683(6) 0.9303(2) 0.0237(5) Uani 1 1 d . . .
H20 H 1.2585 0.7576 0.9747 0.028 Uiso 1 1 calc R . .
C21 C 1.0834(2) 0.73550(6) 0.7716(2) 0.0222(5) Uani 1 1 d . . .
H21 H 1.1192 0.7537 0.7049 0.027 Uiso 1 1 calc R . .
C22 C 0.9399(2) 0.70695(6) 0.7037(2) 0.0181(5) Uani 1 1 d . . .
C23 C 0.8348(2) 0.71138(6) 0.54226(19) 0.0231(5) Uani 1 1 d . . .
H23 H 0.8681 0.7310 0.4775 0.028 Uiso 1 1 calc R . .
C24 C 0.6852(3) 0.68807(6) 0.4759(2) 0.0253(5) Uani 1 1 d . . .
H24 H 0.6163 0.6913 0.3665 0.030 Uiso 1 1 calc R . .
C25 C 0.6355(2) 0.65939(6) 0.5720(2) 0.0227(5) Uani 1 1 d . . .
H25 H 0.5300 0.6441 0.5285 0.027 Uiso 1 1 calc R . .
C26 C 0.7386(2) 0.65332(6) 0.7285(2) 0.0197(5) Uani 1 1 d . . .
H26 H 0.7036 0.6333 0.7909 0.024 Uiso 1 1 calc R . .
C27 C 0.8953(2) 0.67602(6) 0.79997(19) 0.0165(4) Uani 1 1 d . . .
C28 C 1.0034(2) 0.67334(6) 0.96869(19) 0.0163(4) Uani 1 1 d . . .
C29 C 0.9838(2) 0.64055(6) 1.0778(2) 0.0170(4) Uani 1 1 d . . .
C30 C 0.9117(2) 0.59638(6) 1.03543(19) 0.0185(5) Uani 1 1 d . . .
C31 C 0.9152(2) 0.57018(6) 0.9009(2) 0.0173(5) Uani 1 1 d . . .
C32 C 0.6411(3) 0.45216(6) 0.5238(2) 0.0359(6) Uani 1 1 d . . .
H32A H 0.5510 0.4300 0.5052 0.054 Uiso 1 1 calc R . .
H32B H 0.7487 0.4370 0.5410 0.054 Uiso 1 1 calc R . .
H32C H 0.6117 0.4718 0.4314 0.054 Uiso 1 1 calc R . .

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
O1 0.0336(9) 0.0185(8) 0.0353(9) -0.0043(6) 0.0091(7) -0.0070(7)
N1 0.0225(10) 0.0217(10) 0.0273(10) 0.0010(7) 0.0130(8) -0.0014(8)
C1 0.0257(13) 0.0261(13) 0.0371(14) 0.0036(9) 0.0187(11) 0.0029(11)
C2 0.0197(12) 0.0268(13) 0.0392(14) -0.0006(10) 0.0115(11) -0.0019(10)
C3 0.0190(12) 0.0281(13) 0.0271(12) -0.0041(9) 0.0031(10) 0.0057(10)
C4 0.0221(12) 0.0173(11) 0.0218(11) 0.0001(8) 0.0107(10) 0.0051(10)
C5 0.0221(12) 0.0158(11) 0.0209(11) -0.0010(8) 0.0112(10) 0.0039(9)
C6 0.0197(11) 0.0110(11) 0.0181(11) 0.0024(8) 0.0064(9) 0.0016(9)
C7 0.0249(12) 0.0212(12) 0.0202(11) 0.0036(8) 0.0088(10) 0.0003(10)
C8 0.0287(12) 0.0189(12) 0.0197(11) -0.0029(8) 0.0061(10) -0.0009(10)
C9 0.0219(12) 0.0130(11) 0.0281(12) 0.0023(9) 0.0036(10) -0.0006(10)
C10 0.0193(12) 0.0146(11) 0.0255(12) 0.0039(8) 0.0059(10) 0.0040(9)
C11 0.0223(12) 0.0191(12) 0.0362(13) 0.0033(9) 0.0123(10) -0.0013(10)
C12 0.0286(13) 0.0209(12) 0.0340(13) 0.0093(9) 0.0177(11) 0.0024(10)
C13 0.0209(12) 0.0189(12) 0.0234(11) 0.0069(9) 0.0107(10) 0.0070(9)
C14 0.0245(12) 0.0310(13) 0.0249(12) 0.0104(10) 0.0146(10) 0.0076(11)
C15 0.0275(13) 0.0261(12) 0.0176(11) 0.0016(9) 0.0090(10) 0.0074(10)
C16 0.0209(12) 0.0205(12) 0.0194(12) 0.0020(8) 0.0075(10) 0.0051(10)
C17 0.0326(14) 0.0247(13) 0.0190(11) -0.0053(9) 0.0071(10) 0.0030(11)
C18 0.0245(12) 0.0242(13) 0.0271(12) -0.0062(9) 0.0049(10) -0.0051(10)
C19 0.0185(11) 0.0175(11) 0.0206(11) -0.0024(8) 0.0067(9) 0.0004(9)
C20 0.0215(12) 0.0169(11) 0.0318(12) -0.0031(9) 0.0091(10) -0.0036(10)
C21 0.0249(12) 0.0147(11) 0.0301(12) 0.0033(9) 0.0139(10) -0.0002(10)
C22 0.0184(11) 0.0167(11) 0.0204(11) 0.0002(8) 0.0088(9) 0.0054(9)
C23 0.0323(13) 0.0180(11) 0.0211(12) 0.0044(8) 0.0126(10) 0.0063(10)
C24 0.0319(14) 0.0241(12) 0.0141(11) 0.0000(9) 0.0023(10) 0.0048(11)
C25 0.0215(12) 0.0207(12) 0.0208(12) -0.0023(9) 0.0022(10) -0.0010(10)
C26 0.0246(12) 0.0138(11) 0.0204(11) 0.0014(8) 0.0082(10) 0.0028(9)
C27 0.0200(11) 0.0129(11) 0.0179(11) -0.0007(8) 0.0087(9) 0.0035(9)
C28 0.0161(11) 0.0159(11) 0.0184(11) 0.0005(8) 0.0082(9) 0.0047(9)
C29 0.0146(11) 0.0174(11) 0.0200(11) 0.0014(8) 0.0076(9) 0.0041(9)
C30 0.0154(11) 0.0209(12) 0.0171(11) 0.0024(8) 0.0040(9) 0.0044(9)
C31 0.0169(11) 0.0148(11) 0.0170(11) 0.0054(8) 0.0031(9) 0.0033(9)
C32 0.0352(14) 0.0224(13) 0.0444(14) -0.0124(10) 0.0088(11) -0.0043(11)

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are
only
used when they are defined by crystal symmetry. An approximate
(isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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
O1 C9 1.382(2) . ?
O1 C32 1.438(2) . ?
N1 C1 1.348(2) . ?
N1 C5 1.353(2) . ?
C1 C2 1.377(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.383(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.382(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.399(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.493(2) . ?
C6 C7 1.373(2) . ?
C6 C31 1.434(2) . ?
C7 C8 1.408(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.363(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.425(2) . ?
C10 C31 1.429(2) . ?
C10 C11 1.428(2) . ?
C11 C12 1.348(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.423(2) . ?
C12 H12 0.9500 . ?
C13 C30 1.415(2) . ?
C13 C14 1.422(2) . ?
C14 C15 1.352(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.426(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.416(2) . ?
C16 C29 1.425(2) . ?
C17 C18 1.356(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.420(2) . ?
C18 H18 0.9500 . ?
C19 C28 1.418(2) . ?
C19 C20 1.423(2) . ?
C20 C21 1.349(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.425(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.407(2) . ?
C22 C27 1.425(2) . ?
C23 C24 1.374(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.403(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.373(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.416(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.463(2) . ?
C28 C29 1.453(2) . ?
C29 C30 1.450(2) . ?
C30 C31 1.466(2) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?

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
C9 O1 C32 117.14(15) . . ?
C1 N1 C5 116.69(16) . . ?
N1 C1 C2 124.83(19) . . ?
N1 C1 H1 117.6 . . ?
C2 C1 H1 117.6 . . ?
C1 C2 C3 117.77(19) . . ?
C1 C2 H2 121.1 . . ?
C3 C2 H2 121.1 . . ?
C4 C3 C2 119.32(18) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 119.31(18) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
N1 C5 C4 122.03(17) . . ?
N1 C5 C6 116.77(16) . . ?
C4 C5 C6 121.04(17) . . ?
C7 C6 C31 118.82(17) . . ?
C7 C6 C5 116.11(17) . . ?
C31 C6 C5 124.43(16) . . ?
C6 C7 C8 122.87(19) . . ?
C6 C7 H7 118.6 . . ?
C8 C7 H7 118.6 . . ?
C9 C8 C7 118.83(18) . . ?
C9 C8 H8 120.6 . . ?
C7 C8 H8 120.6 . . ?
C8 C9 O1 124.62(17) . . ?
C8 C9 C10 121.14(18) . . ?
O1 C9 C10 114.24(18) . . ?
C9 C10 C31 119.26(19) . . ?
C9 C10 C11 120.28(18) . . ?
C31 C10 C11 120.35(18) . . ?
C12 C11 C10 120.26(19) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 121.02(19) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C30 C13 C14 119.58(18) . . ?
C30 C13 C12 120.17(18) . . ?
C14 C13 C12 120.25(18) . . ?
C15 C14 C13 121.04(19) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 C16 120.18(18) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C29 120.14(17) . . ?
C17 C16 C15 120.11(17) . . ?
C29 C16 C15 119.75(18) . . ?
C18 C17 C16 120.59(17) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C19 120.57(18) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C18 C19 C28 120.11(17) . . ?
C18 C19 C20 119.06(17) . . ?
C28 C19 C20 120.79(16) . . ?
C21 C20 C19 120.96(18) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C20 C21 C22 120.32(18) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C23 C22 C27 119.56(17) . . ?
C23 C22 C21 119.70(17) . . ?
C27 C22 C21 120.60(16) . . ?
C24 C23 C22 121.69(18) . . ?
C24 C23 H23 119.2 . . ?
C22 C23 H23 119.2 . . ?
C23 C24 C25 119.08(17) . . ?
C23 C24 H24 120.5 . . ?
C25 C24 H24 120.5 . . ?
C26 C25 C24 120.37(18) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C25 C26 C27 122.05(18) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 H26 119.0 . . ?
C26 C27 C22 117.09(16) . . ?
C26 C27 C28 124.18(17) . . ?
C22 C27 C28 118.37(17) . . ?
C19 C28 C29 117.95(15) . . ?
C19 C28 C27 117.28(16) . . ?
C29 C28 C27 124.53(16) . . ?
C16 C29 C30 117.20(16) . . ?
C16 C29 C28 117.08(16) . . ?
C30 C29 C28 125.72(16) . . ?
C13 C30 C29 117.84(17) . . ?
C13 C30 C31 117.20(17) . . ?
C29 C30 C31 124.85(17) . . ?
C10 C31 C6 118.27(17) . . ?
C10 C31 C30 117.11(18) . . ?
C6 C31 C30 124.59(17) . . ?
O1 C32 H32A 109.5 . . ?
O1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

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
C5 N1 C1 C2 1.0(3) . . . . ?
N1 C1 C2 C3 1.0(3) . . . . ?
C1 C2 C3 C4 -1.6(3) . . . . ?
C2 C3 C4 C5 0.4(3) . . . . ?
C1 N1 C5 C4 -2.3(3) . . . . ?
C1 N1 C5 C6 -177.71(16) . . . . ?
C3 C4 C5 N1 1.7(3) . . . . ?
C3 C4 C5 C6 176.90(16) . . . . ?
N1 C5 C6 C7 45.8(2) . . . . ?
C4 C5 C6 C7 -129.61(18) . . . . ?
N1 C5 C6 C31 -143.52(17) . . . . ?
C4 C5 C6 C31 41.0(3) . . . . ?
C31 C6 C7 C8 -3.2(3) . . . . ?
C5 C6 C7 C8 167.94(16) . . . . ?
C6 C7 C8 C9 -3.7(3) . . . . ?
C7 C8 C9 O1 -176.03(16) . . . . ?
C7 C8 C9 C10 4.2(3) . . . . ?
C32 O1 C9 C8 2.9(3) . . . . ?
C32 O1 C9 C10 -177.26(15) . . . . ?
C8 C9 C10 C31 2.3(3) . . . . ?
O1 C9 C10 C31 -177.54(14) . . . . ?
C8 C9 C10 C11 -173.94(17) . . . . ?
O1 C9 C10 C11 6.3(2) . . . . ?
C9 C10 C11 C12 171.38(18) . . . . ?
C31 C10 C11 C12 -4.8(3) . . . . ?
C10 C11 C12 C13 9.4(3) . . . . ?
C11 C12 C13 C30 2.6(3) . . . . ?
C11 C12 C13 C14 -177.38(17) . . . . ?
C30 C13 C14 C15 -2.8(3) . . . . ?
C12 C13 C14 C15 177.09(17) . . . . ?
C13 C14 C15 C16 10.9(3) . . . . ?
C14 C15 C16 C17 179.78(17) . . . . ?
C14 C15 C16 C29 -0.6(3) . . . . ?
C29 C16 C17 C18 2.0(3) . . . . ?
C15 C16 C17 C18 -178.47(18) . . . . ?
C16 C17 C18 C19 9.2(3) . . . . ?
C17 C18 C19 C28 -4.3(3) . . . . ?
C17 C18 C19 C20 173.55(18) . . . . ?
C18 C19 C20 C21 -171.73(17) . . . . ?
C28 C19 C20 C21 6.1(3) . . . . ?
C19 C20 C21 C22 4.8(3) . . . . ?
C20 C21 C22 C23 169.00(18) . . . . ?
C20 C21 C22 C27 -6.8(3) . . . . ?
C27 C22 C23 C24 3.1(3) . . . . ?
C21 C22 C23 C24 -172.73(17) . . . . ?
C22 C23 C24 C25 0.5(3) . . . . ?
C23 C24 C25 C26 -2.7(3) . . . . ?
C24 C25 C26 C27 1.3(3) . . . . ?
C25 C26 C27 C22 2.2(3) . . . . ?
C25 C26 C27 C28 175.15(17) . . . . ?
C23 C22 C27 C26 -4.3(3) . . . . ?
C21 C22 C27 C26 171.47(16) . . . . ?
C23 C22 C27 C28 -177.70(16) . . . . ?
C21 C22 C27 C28 -1.9(3) . . . . ?
C18 C19 C28 C29 -11.2(3) . . . . ?
C20 C19 C28 C29 170.96(16) . . . . ?
C18 C19 C28 C27 163.40(17) . . . . ?
C20 C19 C28 C27 -14.4(3) . . . . ?
C26 C27 C28 C19 -160.75(17) . . . . ?
C22 C27 C28 C19 12.2(2) . . . . ?
C26 C27 C28 C29 13.5(3) . . . . ?
C22 C27 C28 C29 -173.63(16) . . . . ?
C17 C16 C29 C30 162.67(17) . . . . ?
C15 C16 C29 C30 -16.9(2) . . . . ?
C17 C16 C29 C28 -17.2(2) . . . . ?
C15 C16 C29 C28 163.22(17) . . . . ?
C19 C28 C29 C16 21.5(2) . . . . ?
C27 C28 C29 C16 -152.68(17) . . . . ?
C19 C28 C29 C30 -158.39(18) . . . . ?
C27 C28 C29 C30 27.4(3) . . . . ?
C14 C13 C30 C29 -15.0(2) . . . . ?
C12 C13 C30 C29 165.10(16) . . . . ?
C14 C13 C30 C31 161.46(16) . . . . ?
C12 C13 C30 C31 -18.5(2) . . . . ?
C16 C29 C30 C13 24.4(2) . . . . ?
C28 C29 C30 C13 -155.74(17) . . . . ?
C16 C29 C30 C31 -151.73(17) . . . . ?
C28 C29 C30 C31 28.1(3) . . . . ?
C9 C10 C31 C6 -9.1(2) . . . . ?
C11 C10 C31 C6 167.10(16) . . . . ?
C9 C10 C31 C30 172.60(15) . . . . ?
C11 C10 C31 C30 -11.2(2) . . . . ?
C7 C6 C31 C10 9.5(2) . . . . ?
C5 C6 C31 C10 -160.86(16) . . . . ?
C7 C6 C31 C30 -172.30(16) . . . . ?
C5 C6 C31 C30 17.3(3) . . . . ?
C13 C30 C31 C10 22.3(2) . . . . ?
C29 C30 C31 C10 -161.53(16) . . . . ?
C13 C30 C31 C6 -155.84(16) . . . . ?
C29 C30 C31 C6 20.3(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.99
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.194
_refine_diff_density_min         -0.185
_refine_diff_density_rms         0.042



_database_code_depnum_ccdc_archive 'CCDC 821845'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_scs115a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41 H31 Cl4 N O2 Pt S'
_chemical_formula_weight         938.62

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'
O O 0.0106 0.0060 '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'
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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P212121

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   13.2528(2)
_cell_length_b                   14.7365(2)
_cell_length_c                   18.3823(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3590.06(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    26421
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      27.1

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1848
_exptl_absorpt_coefficient_mu    4.303
_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      120(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  'CCD Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean 19.64
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            50658
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0310
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.61
_diffrn_reflns_theta_max         27.00
_reflns_number_total             7834
_reflns_number_gt                7098
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_cell_refinement       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_data_reduction        
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'

_computing_structure_solution    'SIR-97_(Altomare & al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'MERCURY 2.4.5(CCDC, 2011)'
_computing_publication_material  'WINGX (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^)+(0.0445P)^2^+0.3167P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.017(6)
_refine_ls_number_reflns         7834
_refine_ls_number_parameters     451
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0270
_refine_ls_wR_factor_ref         0.0729
_refine_ls_wR_factor_gt          0.0719
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_restrained_S_all      1.098
_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
C41 C 0.6906(6) 0.8707(5) 0.1096(5) 0.063(2) Uani 1 1 d . . .
H40 H 0.7658 0.8759 0.1112 0.076 Uiso 1 1 calc R . .
Cl2 Cl 0.6591(2) 0.7596(2) 0.0861(2) 0.1360(15) Uani 1 1 d . . .
Cl3 Cl 0.6466(2) 0.9492(3) 0.0545(3) 0.198(3) Uani 1 1 d . . .
Cl4 Cl 0.6442(2) 0.8750(3) 0.1991(2) 0.1505(16) Uani 1 1 d . . .
Pt1 Pt 0.064603(12) 0.995759(12) 0.325912(8) 0.01403(5) Uani 1 1 d . . .
Cl1 Cl -0.07603(10) 0.92184(9) 0.38203(7) 0.0280(3) Uani 1 1 d . . .
S1 S -0.02793(9) 1.02522(8) 0.22786(7) 0.0171(3) Uani 1 1 d . . .
N1 N 0.1519(3) 0.9740(2) 0.4159(2) 0.0143(8) Uani 1 1 d . . .
O1 O -0.0041(3) 1.1036(2) 0.1815(2) 0.0241(8) Uani 1 1 d . . .
O2 O 0.3254(2) 1.2078(2) 0.16724(19) 0.0216(7) Uani 1 1 d . . .
C1 C 0.1162(4) 0.9513(4) 0.4811(3) 0.0234(11) Uani 1 1 d . . .
H1 H 0.0475 0.9334 0.4848 0.028 Uiso 1 1 calc R . .
C2 C 0.1735(4) 0.9522(4) 0.5436(3) 0.0250(12) Uani 1 1 d . . .
H2 H 0.1460 0.9339 0.5890 0.030 Uiso 1 1 calc R . .
C3 C 0.2730(4) 0.9809(3) 0.5378(3) 0.0224(11) Uani 1 1 d . . .
H3 H 0.3141 0.9849 0.5801 0.027 Uiso 1 1 calc R . .
C4 C 0.3116(3) 1.0035(4) 0.4713(2) 0.0188(8) Uani 1 1 d . . .
H4 H 0.3798 1.0228 0.4674 0.023 Uiso 1 1 calc R . .
C5 C 0.2511(3) 0.9983(4) 0.4085(2) 0.0147(8) Uani 1 1 d . . .
C6 C 0.2786(3) 1.0283(3) 0.3361(2) 0.0133(9) Uani 1 1 d . . .
C7 C 0.1952(3) 1.0497(3) 0.2916(2) 0.0130(9) Uani 1 1 d . . .
C8 C 0.2115(3) 1.1068(3) 0.2314(3) 0.0142(9) Uani 1 1 d . . .
H8 H 0.1573 1.1200 0.1993 0.017 Uiso 1 1 calc R . .
C9 C 0.3053(4) 1.1436(3) 0.2184(3) 0.0158(10) Uani 1 1 d . . .
C10 C 0.3917(4) 1.1137(3) 0.2570(3) 0.0157(11) Uani 1 1 d . . .
C11 C 0.4903(4) 1.1522(3) 0.2445(3) 0.0201(11) Uani 1 1 d . . .
H11 H 0.4996 1.1949 0.2064 0.024 Uiso 1 1 calc R . .
C12 C 0.5694(4) 1.1281(3) 0.2865(3) 0.0229(11) Uani 1 1 d . . .
H12 H 0.6311 1.1605 0.2828 0.027 Uiso 1 1 calc R . .
C13 C 0.5612(4) 1.0541(3) 0.3364(3) 0.0187(10) Uani 1 1 d . . .
C14 C 0.6432(4) 1.0278(3) 0.3810(3) 0.0230(12) Uani 1 1 d . . .
H14 H 0.7052 1.0598 0.3772 0.028 Uiso 1 1 calc R . .
C15 C 0.6360(4) 0.9583(3) 0.4292(3) 0.0185(11) Uani 1 1 d . . .
H15 H 0.6882 0.9479 0.4636 0.022 Uiso 1 1 calc R . .
C16 C 0.5504(4) 0.9016(3) 0.4277(3) 0.0195(10) Uani 1 1 d . . .
C17 C 0.5394(4) 0.8279(4) 0.4777(3) 0.0255(12) Uani 1 1 d . . .
H17 H 0.5930 0.8151 0.5105 0.031 Uiso 1 1 calc R . .
C18 C 0.4555(4) 0.7758(3) 0.4799(3) 0.0223(11) Uani 1 1 d . . .
H18 H 0.4456 0.7342 0.5187 0.027 Uiso 1 1 calc R . .
C19 C 0.3822(4) 0.7838(3) 0.4237(3) 0.0195(11) Uani 1 1 d . . .
C20 C 0.2967(4) 0.7267(3) 0.4235(3) 0.0215(11) Uani 1 1 d . . .
H20 H 0.2880 0.6838 0.4616 0.026 Uiso 1 1 calc R . .
C21 C 0.2272(4) 0.7319(3) 0.3704(3) 0.0224(11) Uani 1 1 d . . .
H21 H 0.1651 0.7004 0.3753 0.027 Uiso 1 1 calc R . .
C22 C 0.2462(4) 0.7845(3) 0.3067(3) 0.0178(10) Uani 1 1 d . . .
C23 C 0.1840(4) 0.7775(3) 0.2454(3) 0.0223(11) Uani 1 1 d . . .
H23 H 0.1219 0.7457 0.2491 0.027 Uiso 1 1 calc R . .
C24 C 0.2112(4) 0.8161(3) 0.1792(3) 0.0242(11) Uani 1 1 d . . .
H24 H 0.1683 0.8118 0.1379 0.029 Uiso 1 1 calc R . .
C25 C 0.3032(4) 0.8611(3) 0.1754(3) 0.0234(10) Uani 1 1 d . . .
H25 H 0.3254 0.8838 0.1297 0.028 Uiso 1 1 calc R . .
C26 C 0.3620(4) 0.8738(3) 0.2347(3) 0.0193(11) Uani 1 1 d . . .
H26 H 0.4231 0.9070 0.2300 0.023 Uiso 1 1 calc R . .
C27 C 0.3348(4) 0.8388(3) 0.3032(3) 0.0161(10) Uani 1 1 d . . .
C28 C 0.3949(3) 0.8489(3) 0.3685(2) 0.0139(9) Uani 1 1 d . . .
C29 C 0.4713(3) 0.9184(3) 0.3777(3) 0.0153(10) Uani 1 1 d . . .
C30 C 0.4690(3) 1.0062(4) 0.3423(2) 0.0160(9) Uani 1 1 d . . .
C31 C 0.3793(3) 1.0476(3) 0.3130(2) 0.0142(10) Uani 1 1 d . . .
C32 C 0.2395(4) 1.2496(4) 0.1319(4) 0.0353(15) Uani 1 1 d . . .
H32A H 0.2631 1.2944 0.0964 0.053 Uiso 1 1 calc R . .
H32B H 0.1974 1.2799 0.1685 0.053 Uiso 1 1 calc R . .
H32C H 0.1997 1.2029 0.1071 0.053 Uiso 1 1 calc R . .
C33 C -0.0361(4) 0.9282(3) 0.1697(3) 0.0173(10) Uani 1 1 d . . .
C34 C -0.0302(4) 0.9416(4) 0.0958(3) 0.0213(11) Uani 1 1 d . . .
H34 H -0.0188 1.0004 0.0764 0.026 Uiso 1 1 calc R . .
C35 C -0.0413(4) 0.8671(4) 0.0501(3) 0.0265(12) Uani 1 1 d . . .
H35 H -0.0365 0.8761 -0.0010 0.032 Uiso 1 1 calc R . .
C36 C -0.0591(4) 0.7808(4) 0.0758(3) 0.0267(11) Uani 1 1 d . . .
C37 C -0.0643(4) 0.7697(3) 0.1512(3) 0.0252(11) Uani 1 1 d . . .
H37 H -0.0756 0.7109 0.1707 0.030 Uiso 1 1 calc R . .
C38 C -0.0534(4) 0.8422(3) 0.1980(3) 0.0219(11) Uani 1 1 d . . .
H38 H -0.0578 0.8334 0.2491 0.026 Uiso 1 1 calc R . .
C39 C -0.0762(5) 0.7011(4) 0.0255(3) 0.0412(15) Uani 1 1 d . . .
H39A H -0.0880 0.6463 0.0544 0.062 Uiso 1 1 calc R . .
H39B H -0.0166 0.6925 -0.0053 0.062 Uiso 1 1 calc R . .
H39C H -0.1352 0.7130 -0.0052 0.062 Uiso 1 1 calc R . .
C40 C -0.1578(4) 1.0379(4) 0.2508(3) 0.0260(12) Uani 1 1 d . . .
H40A H -0.1659 1.0899 0.2835 0.039 Uiso 1 1 calc R . .
H40B H -0.1817 0.9827 0.2751 0.039 Uiso 1 1 calc R . .
H40C H -0.1972 1.0480 0.2065 0.039 Uiso 1 1 calc R . .

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
C41 0.031(4) 0.066(5) 0.092(6) -0.003(5) -0.007(4) -0.003(4)
Cl2 0.0823(19) 0.0763(19) 0.249(4) 0.052(2) -0.063(2) -0.0209(15)
Cl3 0.0713(18) 0.144(3) 0.379(6) 0.189(4) -0.079(3) -0.0364(19)
Cl4 0.074(2) 0.208(4) 0.170(4) -0.042(3) 0.047(2) -0.044(2)
Pt1 0.01341(8) 0.01311(8) 0.01559(8) 0.00162(9) 0.00119(7) -0.00165(9)
Cl1 0.0231(7) 0.0370(7) 0.0240(6) 0.0075(5) 0.0005(6) -0.0131(6)
S1 0.0142(5) 0.0159(6) 0.0212(6) 0.0040(4) -0.0005(5) -0.0002(4)
N1 0.0180(19) 0.012(2) 0.0129(18) 0.0028(14) 0.0005(16) -0.0018(14)
O1 0.0206(19) 0.0199(18) 0.032(2) 0.0097(17) -0.0055(17) -0.0030(14)
O2 0.0168(18) 0.0202(17) 0.0278(19) 0.0074(16) 0.0001(16) 0.0001(13)
C1 0.024(3) 0.025(3) 0.021(3) 0.000(2) 0.005(2) -0.002(2)
C2 0.034(3) 0.029(3) 0.012(2) 0.004(2) 0.002(2) -0.003(2)
C3 0.023(2) 0.024(3) 0.020(2) 0.000(2) -0.005(2) 0.003(2)
C4 0.0163(19) 0.021(2) 0.019(2) -0.004(3) 0.0001(17) 0.002(3)
C5 0.017(2) 0.0090(19) 0.019(2) 0.005(3) 0.0019(16) 0.006(2)
C6 0.014(2) 0.011(2) 0.015(2) 0.0000(17) 0.0031(18) -0.0007(15)
C7 0.014(2) 0.009(2) 0.016(2) -0.0025(18) 0.0007(19) -0.0016(18)
C8 0.010(2) 0.015(2) 0.017(2) 0.0032(19) -0.0021(19) 0.0029(17)
C9 0.020(3) 0.011(2) 0.016(2) 0.0012(18) 0.000(2) -0.0015(19)
C10 0.013(2) 0.012(2) 0.022(3) 0.000(2) 0.003(2) 0.0012(19)
C11 0.022(3) 0.020(3) 0.019(3) 0.002(2) 0.005(2) -0.008(2)
C12 0.019(2) 0.023(2) 0.027(3) -0.003(2) 0.007(2) -0.005(2)
C13 0.013(2) 0.019(2) 0.024(3) -0.0026(19) -0.001(2) 0.002(2)
C14 0.014(2) 0.025(3) 0.030(3) -0.004(2) -0.001(2) -0.0022(19)
C15 0.014(2) 0.023(3) 0.018(2) -0.007(2) -0.003(2) 0.005(2)
C16 0.019(3) 0.024(3) 0.016(2) -0.0003(19) 0.001(2) 0.004(2)
C17 0.025(3) 0.035(3) 0.017(2) 0.004(2) -0.006(2) 0.006(2)
C18 0.024(3) 0.020(2) 0.023(3) 0.005(2) 0.002(2) 0.004(2)
C19 0.023(3) 0.019(3) 0.016(2) 0.001(2) 0.002(2) 0.009(2)
C20 0.036(3) 0.014(2) 0.014(2) -0.0033(19) 0.004(2) 0.005(2)
C21 0.024(3) 0.018(3) 0.024(3) -0.008(2) 0.006(2) -0.004(2)
C22 0.018(2) 0.015(2) 0.020(3) -0.0002(19) 0.002(2) 0.0019(19)
C23 0.019(3) 0.021(3) 0.027(3) -0.005(2) -0.002(2) -0.003(2)
C24 0.027(3) 0.022(3) 0.023(3) 0.004(2) -0.009(2) 0.007(2)
C25 0.034(3) 0.017(2) 0.019(3) 0.005(2) 0.002(3) 0.005(2)
C26 0.024(3) 0.012(2) 0.022(3) 0.001(2) 0.003(2) 0.005(2)
C27 0.017(2) 0.011(2) 0.020(2) -0.0008(18) 0.0014(19) 0.0073(18)
C28 0.011(2) 0.015(2) 0.016(2) -0.0007(19) 0.0060(19) 0.0039(18)
C29 0.013(2) 0.019(2) 0.015(2) 0.0005(19) 0.0009(19) 0.0020(18)
C30 0.0129(18) 0.018(2) 0.017(2) 0.002(2) 0.0032(15) -0.003(2)
C31 0.016(2) 0.011(2) 0.015(2) -0.0049(18) 0.0028(19) -0.0006(17)
C32 0.024(3) 0.033(3) 0.049(4) 0.029(3) 0.006(3) 0.012(2)
C33 0.016(2) 0.020(2) 0.016(2) -0.001(2) -0.002(2) 0.0009(17)
C34 0.017(2) 0.029(3) 0.018(3) 0.007(2) -0.001(2) -0.005(2)
C35 0.027(3) 0.033(3) 0.019(3) 0.005(2) 0.000(2) -0.004(2)
C36 0.022(3) 0.030(3) 0.029(3) -0.006(2) -0.001(3) -0.007(2)
C37 0.026(3) 0.021(2) 0.028(3) 0.004(2) 0.002(2) 0.003(2)
C38 0.020(3) 0.023(3) 0.023(3) 0.006(2) 0.003(2) -0.001(2)
C39 0.058(4) 0.039(3) 0.027(3) -0.003(3) 0.000(3) -0.015(3)
C40 0.014(2) 0.024(3) 0.040(3) 0.006(2) 0.006(2) 0.003(2)

_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
C41 Cl3 1.644(9) . ?
C41 Cl2 1.744(9) . ?
C41 Cl4 1.756(9) . ?
C41 H40 1.0000 . ?
Pt1 C7 2.006(5) . ?
Pt1 N1 2.043(4) . ?
Pt1 S1 2.2229(12) . ?
Pt1 Cl1 2.3925(12) . ?
S1 O1 1.470(4) . ?
S1 C40 1.782(5) . ?
S1 C33 1.788(5) . ?
N1 C1 1.332(6) . ?
N1 C5 1.369(5) . ?
O2 C9 1.361(6) . ?
O2 C32 1.448(6) . ?
C1 C2 1.377(7) . ?
C1 H1 0.9500 . ?
C2 C3 1.388(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.368(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.408(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.449(6) . ?
C6 C7 1.411(6) . ?
C6 C31 1.429(6) . ?
C7 C8 1.407(6) . ?
C8 C9 1.376(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.418(7) . ?
C10 C31 1.426(6) . ?
C10 C11 1.442(7) . ?
C11 C12 1.349(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.429(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.415(7) . ?
C13 C30 1.415(6) . ?
C14 C15 1.358(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.409(7) . ?
C15 H15 0.9500 . ?
C16 C29 1.416(7) . ?
C16 C17 1.430(7) . ?
C17 C18 1.352(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.423(7) . ?
C18 H18 0.9500 . ?
C19 C28 1.407(7) . ?
C19 C20 1.411(7) . ?
C20 C21 1.344(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.427(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.401(7) . ?
C22 C27 1.422(7) . ?
C23 C24 1.390(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.389(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.353(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.408(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.448(7) . ?
C28 C29 1.451(6) . ?
C29 C30 1.449(7) . ?
C30 C31 1.441(6) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.376(7) . ?
C33 C38 1.390(7) . ?
C34 C35 1.389(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.377(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.398(7) . ?
C36 C39 1.512(7) . ?
C37 C38 1.378(7) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?

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
Cl3 C41 Cl2 115.0(5) . . ?
Cl3 C41 Cl4 115.3(5) . . ?
Cl2 C41 Cl4 100.5(5) . . ?
Cl3 C41 H40 108.5 . . ?
Cl2 C41 H40 108.5 . . ?
Cl4 C41 H40 108.5 . . ?
C7 Pt1 N1 80.11(16) . . ?
C7 Pt1 S1 98.27(13) . . ?
N1 Pt1 S1 177.64(10) . . ?
C7 Pt1 Cl1 171.09(14) . . ?
N1 Pt1 Cl1 91.18(11) . . ?
S1 Pt1 Cl1 90.50(4) . . ?
O1 S1 C40 105.2(2) . . ?
O1 S1 C33 107.1(2) . . ?
C40 S1 C33 99.6(2) . . ?
O1 S1 Pt1 120.36(15) . . ?
C40 S1 Pt1 111.16(18) . . ?
C33 S1 Pt1 111.22(16) . . ?
C1 N1 C5 119.7(4) . . ?
C1 N1 Pt1 124.6(3) . . ?
C5 N1 Pt1 114.9(3) . . ?
C9 O2 C32 116.8(4) . . ?
N1 C1 C2 123.6(5) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C1 C2 C3 117.6(5) . . ?
C1 C2 H2 121.2 . . ?
C3 C2 H2 121.2 . . ?
C4 C3 C2 119.9(4) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 120.5(4) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
N1 C5 C4 118.7(4) . . ?
N1 C5 C6 114.4(4) . . ?
C4 C5 C6 126.4(4) . . ?
C7 C6 C31 121.0(4) . . ?
C7 C6 C5 113.7(4) . . ?
C31 C6 C5 124.7(4) . . ?
C8 C7 C6 118.0(4) . . ?
C8 C7 Pt1 128.1(3) . . ?
C6 C7 Pt1 113.9(3) . . ?
C9 C8 C7 120.7(4) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
O2 C9 C8 124.8(4) . . ?
O2 C9 C10 113.8(4) . . ?
C8 C9 C10 121.3(4) . . ?
C9 C10 C31 118.7(4) . . ?
C9 C10 C11 122.0(4) . . ?
C31 C10 C11 119.2(4) . . ?
C12 C11 C10 120.6(4) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 120.6(5) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C14 C13 C30 118.8(4) . . ?
C14 C13 C12 121.5(5) . . ?
C30 C13 C12 119.6(4) . . ?
C15 C14 C13 122.0(5) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C14 C15 C16 119.4(5) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C15 C16 C29 120.3(4) . . ?
C15 C16 C17 121.3(5) . . ?
C29 C16 C17 118.3(5) . . ?
C18 C17 C16 122.3(5) . . ?
C18 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?
C17 C18 C19 119.6(5) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C28 C19 C20 120.0(5) . . ?
C28 C19 C18 119.9(5) . . ?
C20 C19 C18 120.1(5) . . ?
C21 C20 C19 121.2(5) . . ?
C21 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C20 C21 C22 120.4(5) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C23 C22 C27 119.4(4) . . ?
C23 C22 C21 121.1(5) . . ?
C27 C22 C21 119.3(4) . . ?
C24 C23 C22 121.4(5) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C25 C24 C23 117.9(5) . . ?
C25 C24 H24 121.1 . . ?
C23 C24 H24 121.1 . . ?
C26 C25 C24 122.0(5) . . ?
C26 C25 H25 119.0 . . ?
C24 C25 H25 119.0 . . ?
C25 C26 C27 121.5(5) . . ?
C25 C26 H26 119.3 . . ?
C27 C26 H26 119.3 . . ?
C26 C27 C22 117.3(4) . . ?
C26 C27 C28 124.3(5) . . ?
C22 C27 C28 118.3(4) . . ?
C19 C28 C27 117.6(4) . . ?
C19 C28 C29 118.7(4) . . ?
C27 C28 C29 123.6(4) . . ?
C16 C29 C30 117.6(4) . . ?
C16 C29 C28 118.0(4) . . ?
C30 C29 C28 124.3(4) . . ?
C13 C30 C31 118.2(4) . . ?
C13 C30 C29 117.5(4) . . ?
C31 C30 C29 124.3(4) . . ?
C10 C31 C6 117.3(4) . . ?
C10 C31 C30 117.6(4) . . ?
C6 C31 C30 125.1(4) . . ?
O2 C32 H32A 109.5 . . ?
O2 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O2 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C38 120.6(5) . . ?
C34 C33 S1 118.2(4) . . ?
C38 C33 S1 121.1(4) . . ?
C33 C34 C35 118.6(5) . . ?
C33 C34 H34 120.7 . . ?
C35 C34 H34 120.7 . . ?
C36 C35 C34 122.7(5) . . ?
C36 C35 H35 118.7 . . ?
C34 C35 H35 118.7 . . ?
C35 C36 C37 117.2(5) . . ?
C35 C36 C39 122.2(5) . . ?
C37 C36 C39 120.5(5) . . ?
C38 C37 C36 121.5(5) . . ?
C38 C37 H37 119.3 . . ?
C36 C37 H37 119.3 . . ?
C37 C38 C33 119.5(5) . . ?
C37 C38 H38 120.3 . . ?
C33 C38 H38 120.3 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
S1 C40 H40A 109.5 . . ?
S1 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
S1 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?

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
C7 Pt1 S1 O1 -28.3(2) . . . . ?
N1 Pt1 S1 O1 18(3) . . . . ?
Cl1 Pt1 S1 O1 153.27(19) . . . . ?
C7 Pt1 S1 C40 -151.9(2) . . . . ?
N1 Pt1 S1 C40 -106(3) . . . . ?
Cl1 Pt1 S1 C40 29.7(2) . . . . ?
C7 Pt1 S1 C33 98.0(2) . . . . ?
N1 Pt1 S1 C33 144(3) . . . . ?
Cl1 Pt1 S1 C33 -80.34(18) . . . . ?
C7 Pt1 N1 C1 165.7(4) . . . . ?
S1 Pt1 N1 C1 119(3) . . . . ?
Cl1 Pt1 N1 C1 -16.1(4) . . . . ?
C7 Pt1 N1 C5 -4.3(4) . . . . ?
S1 Pt1 N1 C5 -51(3) . . . . ?
Cl1 Pt1 N1 C5 173.8(4) . . . . ?
C5 N1 C1 C2 1.3(8) . . . . ?
Pt1 N1 C1 C2 -168.3(4) . . . . ?
N1 C1 C2 C3 1.8(8) . . . . ?
C1 C2 C3 C4 -2.6(8) . . . . ?
C2 C3 C4 C5 0.4(8) . . . . ?
C1 N1 C5 C4 -3.5(8) . . . . ?
Pt1 N1 C5 C4 167.1(4) . . . . ?
C1 N1 C5 C6 -175.5(4) . . . . ?
Pt1 N1 C5 C6 -4.9(6) . . . . ?
C3 C4 C5 N1 2.7(8) . . . . ?
C3 C4 C5 C6 173.6(5) . . . . ?
N1 C5 C6 C7 15.7(7) . . . . ?
C4 C5 C6 C7 -155.5(5) . . . . ?
N1 C5 C6 C31 -172.9(4) . . . . ?
C4 C5 C6 C31 15.9(8) . . . . ?
C31 C6 C7 C8 -12.7(6) . . . . ?
C5 C6 C7 C8 159.0(4) . . . . ?
C31 C6 C7 Pt1 169.0(3) . . . . ?
C5 C6 C7 Pt1 -19.3(5) . . . . ?
N1 Pt1 C7 C8 -165.2(4) . . . . ?
S1 Pt1 C7 C8 13.1(4) . . . . ?
Cl1 Pt1 C7 C8 -177.4(6) . . . . ?
N1 Pt1 C7 C6 12.9(3) . . . . ?
S1 Pt1 C7 C6 -168.8(3) . . . . ?
Cl1 Pt1 C7 C6 0.7(11) . . . . ?
C6 C7 C8 C9 -2.9(7) . . . . ?
Pt1 C7 C8 C9 175.1(4) . . . . ?
C32 O2 C9 C8 9.7(7) . . . . ?
C32 O2 C9 C10 -172.6(5) . . . . ?
C7 C8 C9 O2 -171.5(4) . . . . ?
C7 C8 C9 C10 11.0(7) . . . . ?
O2 C9 C10 C31 178.8(4) . . . . ?
C8 C9 C10 C31 -3.4(7) . . . . ?
O2 C9 C10 C11 2.8(7) . . . . ?
C8 C9 C10 C11 -179.4(5) . . . . ?
C9 C10 C11 C12 174.1(5) . . . . ?
C31 C10 C11 C12 -1.9(7) . . . . ?
C10 C11 C12 C13 9.8(7) . . . . ?
C11 C12 C13 C14 -179.9(5) . . . . ?
C11 C12 C13 C30 -0.5(7) . . . . ?
C30 C13 C14 C15 -0.1(7) . . . . ?
C12 C13 C14 C15 179.3(5) . . . . ?
C13 C14 C15 C16 9.7(7) . . . . ?
C14 C15 C16 C29 -1.6(7) . . . . ?
C14 C15 C16 C17 -179.6(5) . . . . ?
C15 C16 C17 C18 176.3(5) . . . . ?
C29 C16 C17 C18 -1.8(8) . . . . ?
C16 C17 C18 C19 10.5(8) . . . . ?
C17 C18 C19 C28 -3.2(7) . . . . ?
C17 C18 C19 C20 176.9(5) . . . . ?
C28 C19 C20 C21 1.2(7) . . . . ?
C18 C19 C20 C21 -178.9(5) . . . . ?
C19 C20 C21 C22 10.4(7) . . . . ?
C20 C21 C22 C23 168.0(5) . . . . ?
C20 C21 C22 C27 -6.4(7) . . . . ?
C27 C22 C23 C24 5.6(7) . . . . ?
C21 C22 C23 C24 -168.8(5) . . . . ?
C22 C23 C24 C25 0.8(7) . . . . ?
C23 C24 C25 C26 -4.9(7) . . . . ?
C24 C25 C26 C27 2.4(7) . . . . ?
C25 C26 C27 C22 4.0(7) . . . . ?
C25 C26 C27 C28 179.2(4) . . . . ?
C23 C22 C27 C26 -7.8(7) . . . . ?
C21 C22 C27 C26 166.6(4) . . . . ?
C23 C22 C27 C28 176.7(4) . . . . ?
C21 C22 C27 C28 -8.8(6) . . . . ?
C20 C19 C28 C27 -16.3(7) . . . . ?
C18 C19 C28 C27 163.8(4) . . . . ?
C20 C19 C28 C29 167.6(4) . . . . ?
C18 C19 C28 C29 -12.3(7) . . . . ?
C26 C27 C28 C19 -155.3(5) . . . . ?
C22 C27 C28 C19 19.8(6) . . . . ?
C26 C27 C28 C29 20.6(7) . . . . ?
C22 C27 C28 C29 -164.3(4) . . . . ?
C15 C16 C29 C30 -15.3(7) . . . . ?
C17 C16 C29 C30 162.8(4) . . . . ?
C15 C16 C29 C28 168.2(4) . . . . ?
C17 C16 C29 C28 -13.7(7) . . . . ?
C19 C28 C29 C16 20.7(6) . . . . ?
C27 C28 C29 C16 -155.2(4) . . . . ?
C19 C28 C29 C30 -155.6(4) . . . . ?
C27 C28 C29 C30 28.6(7) . . . . ?
C14 C13 C30 C31 162.9(4) . . . . ?
C12 C13 C30 C31 -16.5(7) . . . . ?
C14 C13 C30 C29 -16.9(7) . . . . ?
C12 C13 C30 C29 163.7(4) . . . . ?
C16 C29 C30 C13 24.3(6) . . . . ?
C28 C29 C30 C13 -159.4(4) . . . . ?
C16 C29 C30 C31 -155.5(4) . . . . ?
C28 C29 C30 C31 20.7(7) . . . . ?
C9 C10 C31 C6 -11.6(6) . . . . ?
C11 C10 C31 C6 164.5(4) . . . . ?
C9 C10 C31 C30 169.0(4) . . . . ?
C11 C10 C31 C30 -14.9(7) . . . . ?
C7 C6 C31 C10 19.9(6) . . . . ?
C5 C6 C31 C10 -150.9(5) . . . . ?
C7 C6 C31 C30 -160.8(4) . . . . ?
C5 C6 C31 C30 28.5(7) . . . . ?
C13 C30 C31 C10 23.8(6) . . . . ?
C29 C30 C31 C10 -156.3(4) . . . . ?
C13 C30 C31 C6 -155.6(4) . . . . ?
C29 C30 C31 C6 24.3(7) . . . . ?
O1 S1 C33 C34 -6.4(5) . . . . ?
C40 S1 C33 C34 103.0(4) . . . . ?
Pt1 S1 C33 C34 -139.8(4) . . . . ?
O1 S1 C33 C38 177.1(4) . . . . ?
C40 S1 C33 C38 -73.5(4) . . . . ?
Pt1 S1 C33 C38 43.8(4) . . . . ?
C38 C33 C34 C35 -0.4(7) . . . . ?
S1 C33 C34 C35 -177.0(4) . . . . ?
C33 C34 C35 C36 0.8(8) . . . . ?
C34 C35 C36 C37 -1.0(8) . . . . ?
C34 C35 C36 C39 176.9(6) . . . . ?
C35 C36 C37 C38 0.9(9) . . . . ?
C39 C36 C37 C38 -177.1(6) . . . . ?
C36 C37 C38 C33 -0.6(8) . . . . ?
C34 C33 C38 C37 0.3(7) . . . . ?
S1 C33 C38 C37 176.8(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.516
_refine_diff_density_min         -1.296
_refine_diff_density_rms         0.112


_database_code_depnum_ccdc_archive 'CCDC 855139'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ea260

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H30 Cl N O2 Pt S'
_chemical_formula_weight         819.25

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'
O O 0.0106 0.0060 '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'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   7.7976(2)
_cell_length_b                   13.3596(4)
_cell_length_c                   15.2470(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.639(2)
_cell_angle_gamma                90.00
_cell_volume                     1585.12(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    140(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             808
_exptl_absorpt_coefficient_mu    4.615
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.45772
_exptl_absorpt_correction_T_max  0.65230
_exptl_absorpt_process_details   'Alcock(1970) crystallographic computing,p271'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      140(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  'CCD Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean 19.64
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21943
_diffrn_reflns_av_R_equivalents  0.0913
_diffrn_reflns_av_sigmaI/netI    0.1089
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.62
_diffrn_reflns_theta_max         26.99
_reflns_number_total             6871
_reflns_number_gt                5235
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_cell_refinement       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_data_reduction        
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.26'

_computing_structure_solution    'SIR-97_(Altomare & al., 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON_(Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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^)+(0.0305P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.017(8)
_refine_ls_number_reflns         6871
_refine_ls_number_parameters     415
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0418
_refine_ls_wR_factor_ref         0.0826
_refine_ls_wR_factor_gt          0.0790
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_restrained_S_all      0.927
_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
C1 C 0.1943(14) 0.2970(8) 0.3334(7) 0.028(3) Uani 1 1 d . . .
H1 H 0.2279 0.2751 0.3912 0.033 Uiso 1 1 calc R . .
C2 C 0.2592(12) 0.3853(7) 0.3052(6) 0.039(2) Uani 1 1 d . . .
H2 H 0.3311 0.4261 0.3429 0.047 Uiso 1 1 calc R . .
C3 C 0.2157(12) 0.4128(6) 0.2190(6) 0.042(2) Uani 1 1 d . . .
H3 H 0.2628 0.4720 0.1957 0.050 Uiso 1 1 calc R . .
C4 C 0.1057(11) 0.3553(6) 0.1675(6) 0.038(2) Uani 1 1 d . . .
H4 H 0.0792 0.3746 0.1083 0.046 Uiso 1 1 calc R . .
C5 C 0.0307(10) 0.2687(6) 0.1995(5) 0.029(2) Uani 1 1 d . . .
C6 C -0.0830(15) 0.1996(8) 0.1534(6) 0.036(3) Uani 1 1 d . . .
C7 C -0.0883(8) 0.0994(12) 0.1934(4) 0.0255(15) Uani 1 1 d . . .
C8 C -0.1534(15) 0.0221(7) 0.1433(7) 0.036(3) Uani 1 1 d . . .
H8 H -0.1562 -0.0427 0.1688 0.043 Uiso 1 1 calc R . .
C9 C -0.2150(13) 0.0335(8) 0.0578(6) 0.031(2) Uani 1 1 d . . .
C10 C -0.2329(14) 0.1334(7) 0.0209(6) 0.036(3) Uani 1 1 d . . .
C11 C -0.2993(15) 0.1497(7) -0.0683(6) 0.054(3) Uani 1 1 d . . .
H11 H -0.3404 0.0946 -0.1029 0.065 Uiso 1 1 calc R . .
C12 C -0.3034(16) 0.2404(7) -0.1022(6) 0.060(3) Uani 1 1 d . . .
H12 H -0.3264 0.2477 -0.1638 0.072 Uiso 1 1 calc R . .
C13 C -0.2745(14) 0.3286(7) -0.0499(6) 0.048(3) Uani 1 1 d . . .
C14 C -0.2787(15) 0.4252(8) -0.0844(6) 0.055(3) Uani 1 1 d . . .
H14 H -0.3008 0.4341 -0.1458 0.066 Uiso 1 1 calc R . .
C15 C -0.2527(14) 0.5046(7) -0.0338(6) 0.048(3) Uani 1 1 d . . .
H15 H -0.2429 0.5684 -0.0605 0.057 Uiso 1 1 calc R . .
C16 C -0.2390(12) 0.4976(7) 0.0585(6) 0.040(2) Uani 1 1 d . . .
C17 C -0.2053(12) 0.5818(8) 0.1132(5) 0.043(3) Uani 1 1 d . . .
H17 H -0.1964 0.6459 0.0870 0.052 Uiso 1 1 calc R . .
C18 C -0.1854(12) 0.5736(5) 0.2016(6) 0.039(3) Uani 1 1 d . . .
H18 H -0.1460 0.6292 0.2361 0.047 Uiso 1 1 calc R . .
C19 C -0.2232(11) 0.4822(6) 0.2423(5) 0.032(2) Uani 1 1 d . . .
C20 C -0.2082(12) 0.4741(7) 0.3355(6) 0.038(2) Uani 1 1 d . . .
H20 H -0.1684 0.5300 0.3694 0.046 Uiso 1 1 calc R . .
C21 C -0.2496(11) 0.3883(7) 0.3772(5) 0.032(2) Uani 1 1 d . . .
H21 H -0.2284 0.3830 0.4390 0.039 Uiso 1 1 calc R . .
C22 C -0.3236(12) 0.3074(6) 0.3293(5) 0.030(2) Uani 1 1 d . . .
C23 C -0.3851(10) 0.2228(6) 0.3727(5) 0.031(2) Uani 1 1 d . . .
H23 H -0.3651 0.2179 0.4346 0.038 Uiso 1 1 calc R . .
C24 C -0.4730(11) 0.1472(6) 0.3285(6) 0.035(2) Uani 1 1 d . . .
H24 H -0.5067 0.0889 0.3587 0.042 Uiso 1 1 calc R . .
C25 C -0.5120(11) 0.1579(7) 0.2380(6) 0.037(2) Uani 1 1 d . . .
H25 H -0.5815 0.1093 0.2072 0.045 Uiso 1 1 calc R . .
C26 C -0.4503(10) 0.2381(6) 0.1937(5) 0.032(2) Uani 1 1 d . . .
H26 H -0.4777 0.2441 0.1324 0.038 Uiso 1 1 calc R . .
C27 C -0.3471(9) 0.3122(6) 0.2370(5) 0.0247(18) Uani 1 1 d . . .
C28 C -0.2746(11) 0.3989(6) 0.1909(5) 0.0288(19) Uani 1 1 d . . .
C29 C -0.2509(11) 0.4020(7) 0.0978(5) 0.033(2) Uani 1 1 d . . .
C30 C -0.2365(19) 0.3167(10) 0.0423(8) 0.040(4) Uani 1 1 d . . .
C31 C -0.1778(14) 0.2170(7) 0.0734(5) 0.032(2) Uani 1 1 d . . .
C32 C -0.265(2) -0.1371(11) 0.0405(10) 0.055(4) Uani 1 1 d . . .
H32A H -0.3098 -0.1861 -0.0029 0.083 Uiso 1 1 calc R . .
H32B H -0.3343 -0.1388 0.0919 0.083 Uiso 1 1 calc R . .
H32C H -0.1454 -0.1533 0.0586 0.083 Uiso 1 1 calc R . .
C33 C -0.1615(12) -0.0537(7) 0.4591(6) 0.044(2) Uani 1 1 d . . .
H33A H -0.2594 -0.0080 0.4622 0.066 Uiso 1 1 calc R . .
H33B H -0.0683 -0.0323 0.5010 0.066 Uiso 1 1 calc R . .
H33C H -0.1972 -0.1217 0.4735 0.066 Uiso 1 1 calc R . .
C34 C 0.0865(11) -0.1390(6) 0.3599(5) 0.0291(19) Uani 1 1 d . . .
C35 C 0.0546(13) -0.2361(7) 0.3758(6) 0.045(2) Uani 1 1 d . . .
H35 H -0.0589 -0.2576 0.3853 0.053 Uiso 1 1 calc R . .
C36 C 0.1869(12) -0.3041(6) 0.3783(6) 0.041(2) Uani 1 1 d . . .
H36 H 0.1631 -0.3723 0.3902 0.050 Uiso 1 1 calc R . .
C37 C 0.3530(11) -0.2765(6) 0.3641(5) 0.0301(19) Uani 1 1 d . . .
C38 C 0.3813(12) -0.1763(6) 0.3494(5) 0.033(2) Uani 1 1 d . . .
H38 H 0.4951 -0.1546 0.3410 0.040 Uiso 1 1 calc R . .
C39 C 0.2529(14) -0.1074(9) 0.3464(7) 0.031(3) Uani 1 1 d . . .
H39 H 0.2763 -0.0390 0.3353 0.037 Uiso 1 1 calc R . .
C40 C 0.4943(13) -0.3514(7) 0.3665(7) 0.054(3) Uani 1 1 d . . .
H40A H 0.4476 -0.4181 0.3773 0.081 Uiso 1 1 calc R . .
H40B H 0.5804 -0.3344 0.4138 0.081 Uiso 1 1 calc R . .
H40C H 0.5481 -0.3512 0.3101 0.081 Uiso 1 1 calc R . .
N1 N 0.0868(9) 0.2400(5) 0.2843(4) 0.0240(16) Uani 1 1 d . . .
O1 O -0.2731(10) -0.0398(5) 0.0029(4) 0.0513(19) Uani 1 1 d . . .
O2 O -0.2277(8) -0.1009(5) 0.2972(4) 0.0395(16) Uani 1 1 d . . .
S1 S -0.0886(3) -0.05188(16) 0.35108(13) 0.0292(5) Uani 1 1 d . . .
Cl1 Cl 0.1351(3) 0.1136(3) 0.46447(11) 0.0376(7) Uani 1 1 d . . .
Pt1 Pt 0.00560(4) 0.09931(3) 0.318234(16) 0.02615(9) Uani 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
C1 0.026(7) 0.029(6) 0.026(5) 0.008(4) -0.006(5) -0.007(5)
C2 0.033(6) 0.029(6) 0.056(6) -0.008(5) 0.010(5) -0.003(4)
C3 0.043(6) 0.027(5) 0.056(6) 0.018(5) 0.007(5) -0.001(4)
C4 0.032(5) 0.041(6) 0.043(5) 0.019(4) 0.006(4) 0.009(4)
C5 0.030(5) 0.035(5) 0.020(4) 0.005(3) 0.001(4) 0.017(4)
C6 0.058(8) 0.033(6) 0.017(5) -0.003(4) 0.008(5) 0.015(5)
C7 0.019(3) 0.036(4) 0.022(3) -0.016(7) 0.007(3) 0.007(8)
C8 0.056(8) 0.016(5) 0.039(6) 0.005(4) 0.021(6) 0.008(5)
C9 0.041(6) 0.030(6) 0.023(6) -0.004(5) -0.002(5) 0.001(5)
C10 0.048(6) 0.036(7) 0.023(5) -0.011(4) 0.002(4) 0.017(4)
C11 0.083(8) 0.047(6) 0.030(5) -0.005(4) -0.009(5) 0.020(5)
C12 0.109(10) 0.054(7) 0.016(5) -0.005(4) -0.004(5) 0.034(6)
C13 0.065(7) 0.050(6) 0.029(5) 0.005(5) -0.001(5) 0.029(5)
C14 0.083(9) 0.063(7) 0.018(5) 0.010(5) -0.003(5) 0.020(6)
C15 0.062(7) 0.045(6) 0.035(6) 0.019(5) 0.003(5) 0.022(5)
C16 0.048(6) 0.036(5) 0.037(5) 0.002(4) 0.008(4) 0.014(4)
C17 0.063(6) 0.020(8) 0.046(5) 0.008(4) 0.001(4) 0.010(5)
C18 0.053(6) 0.022(7) 0.042(5) -0.006(4) -0.001(4) 0.008(4)
C19 0.032(5) 0.034(5) 0.028(5) -0.006(4) -0.005(4) 0.013(4)
C20 0.040(6) 0.037(5) 0.038(5) -0.006(4) -0.005(4) -0.001(4)
C21 0.029(5) 0.047(6) 0.021(4) -0.009(4) 0.001(4) 0.010(4)
C22 0.024(5) 0.037(5) 0.030(5) -0.005(4) 0.002(4) 0.004(4)
C23 0.026(5) 0.046(5) 0.022(4) -0.001(4) -0.001(4) 0.008(4)
C24 0.027(5) 0.035(4) 0.044(6) -0.002(4) 0.003(4) -0.004(4)
C25 0.027(5) 0.043(5) 0.040(5) -0.008(4) -0.009(4) 0.000(4)
C26 0.029(5) 0.040(5) 0.025(4) -0.001(4) -0.006(4) 0.015(4)
C27 0.013(4) 0.037(5) 0.024(4) -0.009(4) 0.003(3) 0.007(3)
C28 0.029(5) 0.030(5) 0.027(4) 0.001(4) -0.001(4) 0.010(4)
C29 0.039(5) 0.034(5) 0.024(4) 0.005(4) -0.005(4) 0.011(4)
C30 0.047(8) 0.052(8) 0.021(6) 0.008(5) 0.010(5) 0.022(6)
C31 0.059(7) 0.022(5) 0.017(5) 0.001(4) 0.011(4) 0.013(5)
C32 0.074(11) 0.046(8) 0.044(8) -0.013(6) -0.002(7) -0.007(7)
C33 0.039(6) 0.045(6) 0.050(6) 0.008(4) 0.024(5) -0.003(4)
C34 0.031(5) 0.030(5) 0.026(4) 0.005(4) 0.000(4) -0.011(4)
C35 0.045(6) 0.037(6) 0.051(6) 0.018(4) 0.001(5) -0.010(5)
C36 0.034(6) 0.024(5) 0.066(7) 0.004(4) 0.003(5) -0.004(4)
C37 0.030(5) 0.032(5) 0.028(4) -0.006(4) 0.001(4) 0.005(4)
C38 0.025(5) 0.035(5) 0.039(5) 0.003(4) -0.006(4) -0.002(4)
C39 0.026(7) 0.036(6) 0.030(6) 0.011(5) 0.009(5) -0.012(5)
C40 0.039(6) 0.036(5) 0.086(7) -0.002(5) -0.004(6) 0.014(4)
N1 0.033(4) 0.026(4) 0.013(3) 0.005(3) 0.004(3) 0.017(3)
O1 0.083(6) 0.041(4) 0.028(3) -0.012(3) -0.009(3) 0.012(4)
O2 0.026(4) 0.047(4) 0.044(4) 0.008(3) -0.009(3) -0.012(3)
S1 0.0272(12) 0.0342(12) 0.0264(11) 0.0058(9) 0.0029(10) -0.0014(10)
Cl1 0.0443(11) 0.043(2) 0.0242(8) 0.0055(12) -0.0046(8) -0.0016(14)
Pt1 0.02704(14) 0.02865(14) 0.02268(12) 0.0033(3) 0.00110(9) 0.0043(3)

_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
C1 N1 1.328(12) . ?
C1 C2 1.363(14) . ?
C1 H1 0.9500 . ?
C2 C3 1.385(13) . ?
C2 H2 0.9500 . ?
C3 C4 1.363(12) . ?
C3 H3 0.9500 . ?
C4 C5 1.396(12) . ?
C4 H4 0.9500 . ?
C5 N1 1.393(9) . ?
C5 C6 1.434(14) . ?
C6 C31 1.404(14) . ?
C6 C7 1.472(18) . ?
C7 C8 1.364(16) . ?
C7 Pt1 1.995(6) . ?
C8 C9 1.368(14) . ?
C8 H8 0.9500 . ?
C9 O1 1.349(11) . ?
C9 C10 1.451(13) . ?
C10 C31 1.425(12) . ?
C10 C11 1.440(13) . ?
C11 C12 1.317(13) . ?
C11 H11 0.9500 . ?
C12 C13 1.432(13) . ?
C12 H12 0.9500 . ?
C13 C14 1.392(13) . ?
C13 C30 1.428(15) . ?
C14 C15 1.319(13) . ?
C14 H14 0.9500 . ?
C15 C16 1.408(12) . ?
C15 H15 0.9500 . ?
C16 C17 1.415(13) . ?
C16 C29 1.416(12) . ?
C17 C18 1.352(11) . ?
C17 H17 0.9500 . ?
C18 C19 1.410(11) . ?
C18 H18 0.9500 . ?
C19 C28 1.404(11) . ?
C19 C20 1.423(11) . ?
C20 C21 1.359(12) . ?
C20 H20 0.9500 . ?
C21 C22 1.408(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.409(12) . ?
C22 C27 1.409(11) . ?
C23 C24 1.372(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.402(11) . ?
C24 H24 0.9500 . ?
C25 C26 1.370(12) . ?
C25 H25 0.9500 . ?
C26 C27 1.413(11) . ?
C26 H26 0.9500 . ?
C27 C28 1.485(11) . ?
C28 C29 1.443(11) . ?
C29 C30 1.429(15) . ?
C30 C31 1.476(15) . ?
C32 O1 1.420(15) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 S1 1.776(8) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.347(11) . ?
C34 C39 1.392(13) . ?
C34 S1 1.792(9) . ?
C35 C36 1.372(13) . ?
C35 H35 0.9500 . ?
C36 C37 1.377(12) . ?
C36 H36 0.9500 . ?
C37 C38 1.377(11) . ?
C37 C40 1.488(12) . ?
C38 C39 1.359(14) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
N1 Pt1 2.060(6) . ?
O2 S1 1.472(6) . ?
S1 Pt1 2.217(2) . ?
Cl1 Pt1 2.3961(18) . ?

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
N1 C1 C2 123.5(10) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C1 C2 C3 117.1(9) . . ?
C1 C2 H2 121.5 . . ?
C3 C2 H2 121.5 . . ?
C4 C3 C2 120.2(8) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 121.9(8) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
N1 C5 C4 116.0(8) . . ?
N1 C5 C6 115.2(8) . . ?
C4 C5 C6 128.5(8) . . ?
C31 C6 C5 126.4(9) . . ?
C31 C6 C7 118.9(9) . . ?
C5 C6 C7 114.5(8) . . ?
C8 C7 C6 118.3(7) . . ?
C8 C7 Pt1 129.4(11) . . ?
C6 C7 Pt1 112.2(8) . . ?
C7 C8 C9 123.0(10) . . ?
C7 C8 H8 118.5 . . ?
C9 C8 H8 118.5 . . ?
O1 C9 C8 126.4(10) . . ?
O1 C9 C10 114.0(7) . . ?
C8 C9 C10 119.4(9) . . ?
C31 C10 C11 119.3(8) . . ?
C31 C10 C9 119.0(8) . . ?
C11 C10 C9 121.7(7) . . ?
C12 C11 C10 120.5(9) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 122.7(8) . . ?
C11 C12 H12 118.7 . . ?
C13 C12 H12 118.7 . . ?
C14 C13 C30 118.3(10) . . ?
C14 C13 C12 123.6(8) . . ?
C30 C13 C12 118.1(10) . . ?
C15 C14 C13 121.7(8) . . ?
C15 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
C14 C15 C16 122.0(9) . . ?
C14 C15 H15 119.0 . . ?
C16 C15 H15 119.0 . . ?
C15 C16 C17 122.4(9) . . ?
C15 C16 C29 118.7(8) . . ?
C17 C16 C29 118.8(8) . . ?
C18 C17 C16 121.9(9) . . ?
C18 C17 H17 119.0 . . ?
C16 C17 H17 119.0 . . ?
C17 C18 C19 119.7(8) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C28 C19 C18 120.0(7) . . ?
C28 C19 C20 120.0(8) . . ?
C18 C19 C20 119.9(8) . . ?
C21 C20 C19 121.6(8) . . ?
C21 C20 H20 119.2 . . ?
C19 C20 H20 119.2 . . ?
C20 C21 C22 120.5(8) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C21 C22 C23 120.9(8) . . ?
C21 C22 C27 120.4(8) . . ?
C23 C22 C27 118.6(8) . . ?
C24 C23 C22 122.3(8) . . ?
C24 C23 H23 118.8 . . ?
C22 C23 H23 118.8 . . ?
C23 C24 C25 118.6(8) . . ?
C23 C24 H24 120.7 . . ?
C25 C24 H24 120.7 . . ?
C26 C25 C24 120.2(8) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 121.7(7) . . ?
C25 C26 H26 119.1 . . ?
C27 C26 H26 119.1 . . ?
C22 C27 C26 117.9(8) . . ?
C22 C27 C28 118.6(7) . . ?
C26 C27 C28 123.2(7) . . ?
C19 C28 C29 118.5(8) . . ?
C19 C28 C27 117.2(7) . . ?
C29 C28 C27 124.3(7) . . ?
C16 C29 C30 117.3(8) . . ?
C16 C29 C28 117.3(8) . . ?
C30 C29 C28 125.4(8) . . ?
C13 C30 C29 118.3(11) . . ?
C13 C30 C31 117.3(11) . . ?
C29 C30 C31 124.3(10) . . ?
C6 C31 C10 118.8(9) . . ?
C6 C31 C30 124.3(10) . . ?
C10 C31 C30 116.8(10) . . ?
O1 C32 H32A 109.5 . . ?
O1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
S1 C33 H33A 109.5 . . ?
S1 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
S1 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C39 120.2(9) . . ?
C35 C34 S1 119.4(7) . . ?
C39 C34 S1 120.3(7) . . ?
C34 C35 C36 119.7(9) . . ?
C34 C35 H35 120.2 . . ?
C36 C35 H35 120.2 . . ?
C35 C36 C37 122.1(8) . . ?
C35 C36 H36 118.9 . . ?
C37 C36 H36 118.9 . . ?
C38 C37 C36 116.6(8) . . ?
C38 C37 C40 122.1(8) . . ?
C36 C37 C40 121.2(8) . . ?
C39 C38 C37 122.6(9) . . ?
C39 C38 H38 118.7 . . ?
C37 C38 H38 118.7 . . ?
C38 C39 C34 118.8(10) . . ?
C38 C39 H39 120.6 . . ?
C34 C39 H39 120.6 . . ?
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 . . ?
C1 N1 C5 121.0(8) . . ?
C1 N1 Pt1 125.1(6) . . ?
C5 N1 Pt1 113.6(5) . . ?
C9 O1 C32 114.1(9) . . ?
O2 S1 C33 104.1(4) . . ?
O2 S1 C34 106.5(4) . . ?
C33 S1 C34 102.1(4) . . ?
O2 S1 Pt1 121.5(3) . . ?
C33 S1 Pt1 110.6(3) . . ?
C34 S1 Pt1 110.3(3) . . ?
C7 Pt1 N1 81.9(5) . . ?
C7 Pt1 S1 96.3(5) . . ?
N1 Pt1 S1 178.1(2) . . ?
C7 Pt1 Cl1 174.2(4) . . ?
N1 Pt1 Cl1 92.47(19) . . ?
S1 Pt1 Cl1 89.32(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -3.4(16) . . . . ?
C1 C2 C3 C4 3.2(14) . . . . ?
C2 C3 C4 C5 1.3(14) . . . . ?
C3 C4 C5 N1 -5.5(12) . . . . ?
C3 C4 C5 C6 -178.3(9) . . . . ?
N1 C5 C6 C31 169.5(8) . . . . ?
C4 C5 C6 C31 -17.6(16) . . . . ?
N1 C5 C6 C7 -14.5(11) . . . . ?
C4 C5 C6 C7 158.3(8) . . . . ?
C31 C6 C7 C8 14.0(12) . . . . ?
C5 C6 C7 C8 -162.2(9) . . . . ?
C31 C6 C7 Pt1 -166.0(7) . . . . ?
C5 C6 C7 Pt1 17.7(10) . . . . ?
C6 C7 C8 C9 -0.5(14) . . . . ?
Pt1 C7 C8 C9 179.5(7) . . . . ?
C7 C8 C9 O1 176.4(9) . . . . ?
C7 C8 C9 C10 -7.9(17) . . . . ?
O1 C9 C10 C31 179.2(9) . . . . ?
C8 C9 C10 C31 3.0(16) . . . . ?
O1 C9 C10 C11 -2.9(15) . . . . ?
C8 C9 C10 C11 -179.1(9) . . . . ?
C31 C10 C11 C12 2.5(16) . . . . ?
C9 C10 C11 C12 -175.4(11) . . . . ?
C10 C11 C12 C13 -12.1(17) . . . . ?
C11 C12 C13 C14 -179.8(11) . . . . ?
C11 C12 C13 C30 1.3(17) . . . . ?
C30 C13 C14 C15 -1.7(17) . . . . ?
C12 C13 C14 C15 179.5(11) . . . . ?
C13 C14 C15 C16 -7.5(17) . . . . ?
C14 C15 C16 C17 177.8(10) . . . . ?
C14 C15 C16 C29 1.0(15) . . . . ?
C15 C16 C17 C18 -177.2(9) . . . . ?
C29 C16 C17 C18 -0.5(14) . . . . ?
C16 C17 C18 C19 -9.4(14) . . . . ?
C17 C18 C19 C28 2.6(13) . . . . ?
C17 C18 C19 C20 -177.8(9) . . . . ?
C28 C19 C20 C21 -2.8(13) . . . . ?
C18 C19 C20 C21 177.6(8) . . . . ?
C19 C20 C21 C22 -5.8(13) . . . . ?
C20 C21 C22 C23 -172.6(8) . . . . ?
C20 C21 C22 C27 3.5(13) . . . . ?
C21 C22 C23 C24 173.4(8) . . . . ?
C27 C22 C23 C24 -2.7(13) . . . . ?
C22 C23 C24 C25 -4.1(13) . . . . ?
C23 C24 C25 C26 5.6(12) . . . . ?
C24 C25 C26 C27 -0.2(12) . . . . ?
C21 C22 C27 C26 -168.2(7) . . . . ?
C23 C22 C27 C26 7.9(12) . . . . ?
C21 C22 C27 C28 6.8(12) . . . . ?
C23 C22 C27 C28 -177.0(7) . . . . ?
C25 C26 C27 C22 -6.6(12) . . . . ?
C25 C26 C27 C28 178.6(7) . . . . ?
C18 C19 C28 C29 13.7(12) . . . . ?
C20 C19 C28 C29 -165.9(8) . . . . ?
C18 C19 C28 C27 -167.6(7) . . . . ?
C20 C19 C28 C27 12.8(12) . . . . ?
C22 C27 C28 C19 -14.8(11) . . . . ?
C26 C27 C28 C19 160.0(7) . . . . ?
C22 C27 C28 C29 163.9(8) . . . . ?
C26 C27 C28 C29 -21.3(12) . . . . ?
C15 C16 C29 C30 14.0(14) . . . . ?
C17 C16 C29 C30 -162.8(10) . . . . ?
C15 C16 C29 C28 -166.6(9) . . . . ?
C17 C16 C29 C28 16.5(13) . . . . ?
C19 C28 C29 C16 -23.0(12) . . . . ?
C27 C28 C29 C16 158.4(8) . . . . ?
C19 C28 C29 C30 156.3(10) . . . . ?
C27 C28 C29 C30 -22.3(15) . . . . ?
C14 C13 C30 C29 16.8(18) . . . . ?
C12 C13 C30 C29 -164.2(11) . . . . ?
C14 C13 C30 C31 -160.8(11) . . . . ?
C12 C13 C30 C31 18.2(17) . . . . ?
C16 C29 C30 C13 -22.7(17) . . . . ?
C28 C29 C30 C13 158.0(11) . . . . ?
C16 C29 C30 C31 154.7(11) . . . . ?
C28 C29 C30 C31 -24.6(19) . . . . ?
C5 C6 C31 C10 157.2(10) . . . . ?
C7 C6 C31 C10 -18.6(14) . . . . ?
C5 C6 C31 C30 -27.5(17) . . . . ?
C7 C6 C31 C30 156.7(10) . . . . ?
C11 C10 C31 C6 -167.6(9) . . . . ?
C9 C10 C31 C6 10.3(15) . . . . ?
C11 C10 C31 C30 16.7(15) . . . . ?
C9 C10 C31 C30 -165.4(11) . . . . ?
C13 C30 C31 C6 157.9(11) . . . . ?
C29 C30 C31 C6 -20(2) . . . . ?
C13 C30 C31 C10 -26.7(16) . . . . ?
C29 C30 C31 C10 155.8(12) . . . . ?
C39 C34 C35 C36 -0.3(14) . . . . ?
S1 C34 C35 C36 176.8(7) . . . . ?
C34 C35 C36 C37 -0.7(15) . . . . ?
C35 C36 C37 C38 1.7(13) . . . . ?
C35 C36 C37 C40 -179.6(9) . . . . ?
C36 C37 C38 C39 -1.8(13) . . . . ?
C40 C37 C38 C39 179.5(9) . . . . ?
C37 C38 C39 C34 0.9(15) . . . . ?
C35 C34 C39 C38 0.2(14) . . . . ?
S1 C34 C39 C38 -176.9(7) . . . . ?
C2 C1 N1 C5 -1.0(15) . . . . ?
C2 C1 N1 Pt1 173.0(8) . . . . ?
C4 C5 N1 C1 5.3(11) . . . . ?
C6 C5 N1 C1 179.1(9) . . . . ?
C4 C5 N1 Pt1 -169.3(6) . . . . ?
C6 C5 N1 Pt1 4.5(9) . . . . ?
C8 C9 O1 C32 -0.7(16) . . . . ?
C10 C9 O1 C32 -176.5(11) . . . . ?
C35 C34 S1 O2 -43.6(8) . . . . ?
C39 C34 S1 O2 133.5(7) . . . . ?
C35 C34 S1 C33 65.2(8) . . . . ?
C39 C34 S1 C33 -117.6(8) . . . . ?
C35 C34 S1 Pt1 -177.2(6) . . . . ?
C39 C34 S1 Pt1 -0.1(8) . . . . ?
C8 C7 Pt1 N1 168.2(8) . . . . ?
C6 C7 Pt1 N1 -11.7(6) . . . . ?
C8 C7 Pt1 S1 -12.5(8) . . . . ?
C6 C7 Pt1 S1 167.5(6) . . . . ?
C8 C7 Pt1 Cl1 154(3) . . . . ?
C6 C7 Pt1 Cl1 -26(3) . . . . ?
C1 N1 Pt1 C7 -170.1(8) . . . . ?
C5 N1 Pt1 C7 4.3(5) . . . . ?
C1 N1 Pt1 S1 167(5) . . . . ?
C5 N1 Pt1 S1 -18(6) . . . . ?
C1 N1 Pt1 Cl1 8.5(8) . . . . ?
C5 N1 Pt1 Cl1 -177.1(5) . . . . ?
O2 S1 Pt1 C7 -18.9(4) . . . . ?
C33 S1 Pt1 C7 -141.3(4) . . . . ?
C34 S1 Pt1 C7 106.6(4) . . . . ?
O2 S1 Pt1 N1 4(6) . . . . ?
C33 S1 Pt1 N1 -119(6) . . . . ?
C34 S1 Pt1 N1 129(6) . . . . ?
O2 S1 Pt1 Cl1 162.4(4) . . . . ?
C33 S1 Pt1 Cl1 40.0(4) . . . . ?
C34 S1 Pt1 Cl1 -72.1(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.99
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.787
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.133


_database_code_depnum_ccdc_archive 'CCDC 804094'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_scs24

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H14 N2'
_chemical_formula_weight         282.33

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   7.5661(2)
_cell_length_b                   12.3042(3)
_cell_length_c                   7.9592(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.511(3)
_cell_angle_gamma                90.00
_cell_volume                     713.97(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    140(2)
_cell_measurement_reflns_used    2726
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      27.1

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             296
_exptl_absorpt_coefficient_mu    0.078
_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      140(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  'CCD Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean 19.64
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5354
_diffrn_reflns_av_R_equivalents  0.0176
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.79
_diffrn_reflns_theta_max         26.99
_reflns_number_total             2967
_reflns_number_gt                2562
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_cell_refinement       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_data_reduction        
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.26'

_computing_structure_solution    'SIR-97_(Altomare & al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'MERCURY(CCDC, 2006)'
_computing_publication_material  'WINGX (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^ > 2\s(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^)+(0.0379P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.042(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -3(2)
_refine_ls_number_reflns         2967
_refine_ls_number_parameters     200
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0319
_refine_ls_wR_factor_ref         0.0695
_refine_ls_wR_factor_gt          0.0677
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_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
N1 N 0.47772(17) 0.97705(10) 0.60115(16) 0.0279(3) Uani 1 1 d . . .
N2 N 0.43674(16) 0.80536(10) 0.06694(15) 0.0267(3) Uani 1 1 d . . .
C1 C 0.23159(16) 1.03126(11) 0.35130(17) 0.0203(3) Uani 1 1 d . . .
C2 C 0.16316(18) 1.10833(12) 0.44266(19) 0.0258(3) Uani 1 1 d . . .
H2 H 0.2104 1.1120 0.5658 0.031 Uiso 1 1 calc R . .
C3 C 0.0254(2) 1.18175(12) 0.3588(2) 0.0308(4) Uani 1 1 d . . .
H3 H -0.0146 1.2366 0.4243 0.037 Uiso 1 1 calc R . .
C4 C -0.05027(19) 1.17424(12) 0.1844(2) 0.0297(4) Uani 1 1 d . . .
H4 H -0.1504 1.2198 0.1295 0.036 Uiso 1 1 calc R . .
C5 C 0.01918(18) 1.09883(12) 0.08363(19) 0.0248(3) Uani 1 1 d . . .
C6 C -0.0628(2) 1.09065(13) -0.0977(2) 0.0297(4) Uani 1 1 d . . .
H6 H -0.1655 1.1349 -0.1503 0.036 Uiso 1 1 calc R . .
C7 C 0.00336(19) 1.02026(13) -0.1982(2) 0.0303(4) Uani 1 1 d . . .
H7 H -0.0578 1.0119 -0.3183 0.036 Uiso 1 1 calc R . .
C8 C 0.16251(19) 0.96011(12) -0.12313(18) 0.0267(3) Uani 1 1 d . . .
H8 H 0.2121 0.9146 -0.1956 0.032 Uiso 1 1 calc R . .
C9 C 0.24860(17) 0.96519(11) 0.05189(18) 0.0218(3) Uani 1 1 d . . .
C10 C 0.17080(17) 1.03019(11) 0.16407(18) 0.0215(3) Uani 1 1 d . . .
C11 C 0.34876(18) 0.94502(11) 0.45739(18) 0.0202(3) Uani 1 1 d . . .
C12 C 0.31255(19) 0.83680(11) 0.41617(18) 0.0222(3) Uani 1 1 d . . .
H12 H 0.2175 0.8168 0.3164 0.027 Uiso 1 1 calc R . .
C13 C 0.4155(2) 0.75833(12) 0.5211(2) 0.0301(4) Uani 1 1 d . . .
H13 H 0.3957 0.6836 0.4922 0.036 Uiso 1 1 calc R . .
C14 C 0.5477(2) 0.78931(12) 0.66864(19) 0.0290(4) Uani 1 1 d . . .
H14 H 0.6196 0.7365 0.7439 0.035 Uiso 1 1 calc R . .
C15 C 0.57311(19) 0.89812(13) 0.70450(19) 0.0276(3) Uani 1 1 d . . .
H15 H 0.6627 0.9191 0.8077 0.033 Uiso 1 1 calc R . .
C16 C 0.43030(18) 0.91030(11) 0.11244(17) 0.0213(3) Uani 1 1 d . . .
C17 C 0.58559(18) 0.96705(12) 0.20112(18) 0.0244(3) Uani 1 1 d . . .
H17 H 0.5769 1.0414 0.2302 0.029 Uiso 1 1 calc R . .
C18 C 0.7527(2) 0.91470(13) 0.24664(19) 0.0286(3) Uani 1 1 d . . .
H18 H 0.8606 0.9522 0.3076 0.034 Uiso 1 1 calc R . .
C19 C 0.7600(2) 0.80623(13) 0.20167(19) 0.0304(4) Uani 1 1 d . . .
H19 H 0.8730 0.7677 0.2314 0.036 Uiso 1 1 calc R . .
C20 C 0.6000(2) 0.75569(13) 0.11300(19) 0.0296(3) Uani 1 1 d . . .
H20 H 0.6058 0.6813 0.0828 0.035 Uiso 1 1 calc R . .

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
N1 0.0259(6) 0.0303(7) 0.0274(7) -0.0006(5) 0.0070(5) -0.0014(5)
N2 0.0316(7) 0.0242(7) 0.0242(7) -0.0022(5) 0.0074(5) -0.0001(6)
C1 0.0164(7) 0.0182(7) 0.0263(8) 0.0006(6) 0.0058(6) -0.0045(6)
C2 0.0251(7) 0.0235(8) 0.0293(8) -0.0003(6) 0.0081(6) -0.0011(7)
C3 0.0279(8) 0.0239(8) 0.0418(10) -0.0028(7) 0.0115(7) 0.0031(7)
C4 0.0233(7) 0.0211(8) 0.0437(10) 0.0069(7) 0.0072(7) 0.0047(6)
C5 0.0198(7) 0.0203(7) 0.0335(8) 0.0072(6) 0.0055(6) -0.0025(6)
C6 0.0215(7) 0.0303(9) 0.0343(9) 0.0130(7) 0.0021(7) -0.0005(6)
C7 0.0258(8) 0.0368(9) 0.0247(8) 0.0063(7) 0.0007(6) -0.0078(7)
C8 0.0266(7) 0.0275(8) 0.0262(8) -0.0003(7) 0.0075(6) -0.0059(7)
C9 0.0199(7) 0.0199(8) 0.0260(7) 0.0022(6) 0.0065(6) -0.0043(6)
C10 0.0182(7) 0.0176(7) 0.0280(8) 0.0034(6) 0.0050(6) -0.0044(6)
C11 0.0189(6) 0.0233(7) 0.0199(7) 0.0007(5) 0.0078(6) -0.0008(6)
C12 0.0215(7) 0.0235(8) 0.0214(7) -0.0004(6) 0.0054(6) -0.0025(6)
C13 0.0385(9) 0.0223(8) 0.0314(9) 0.0015(7) 0.0128(7) -0.0017(7)
C14 0.0310(8) 0.0309(9) 0.0261(8) 0.0070(7) 0.0093(7) 0.0114(7)
C15 0.0220(8) 0.0359(9) 0.0238(8) 0.0001(7) 0.0045(6) 0.0007(7)
C16 0.0238(7) 0.0222(8) 0.0189(7) 0.0000(6) 0.0074(6) -0.0019(6)
C17 0.0240(7) 0.0234(8) 0.0271(8) -0.0020(6) 0.0092(6) -0.0025(6)
C18 0.0230(7) 0.0357(9) 0.0272(8) 0.0013(6) 0.0068(6) -0.0039(7)
C19 0.0278(8) 0.0348(9) 0.0302(8) 0.0049(7) 0.0105(7) 0.0108(7)
C20 0.0389(9) 0.0235(8) 0.0271(8) -0.0011(6) 0.0103(7) 0.0067(7)

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are
only
used when they are defined by crystal symmetry. An approximate
(isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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
N1 C11 1.3488(19) . ?
N1 C15 1.3502(18) . ?
N2 C20 1.3388(18) . ?
N2 C16 1.3454(18) . ?
C1 C2 1.3774(19) . ?
C1 C10 1.4373(19) . ?
C1 C11 1.4916(18) . ?
C2 C3 1.406(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.356(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.416(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.4142(19) . ?
C5 C10 1.4305(18) . ?
C6 C7 1.361(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.404(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.372(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.4369(19) . ?
C9 C16 1.4913(18) . ?
C11 C12 1.3812(19) . ?
C12 C13 1.374(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.377(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.372(2) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.3867(18) . ?
C17 C18 1.378(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.387(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.376(2) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?

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
C11 N1 C15 117.01(13) . . ?
C20 N2 C16 117.49(12) . . ?
C2 C1 C10 119.50(12) . . ?
C2 C1 C11 116.19(12) . . ?
C10 C1 C11 123.87(12) . . ?
C1 C2 C3 121.83(13) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 H2 119.1 . . ?
C4 C3 C2 119.92(14) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.36(14) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 119.80(13) . . ?
C6 C5 C10 119.67(13) . . ?
C4 C5 C10 120.53(13) . . ?
C7 C6 C5 121.00(14) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C6 C7 C8 119.60(14) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C9 C8 C7 121.89(14) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C8 C9 C10 119.60(12) . . ?
C8 C9 C16 116.98(12) . . ?
C10 C9 C16 123.14(12) . . ?
C5 C10 C9 117.60(12) . . ?
C5 C10 C1 117.04(12) . . ?
C9 C10 C1 125.36(12) . . ?
N1 C11 C12 122.40(13) . . ?
N1 C11 C1 117.25(12) . . ?
C12 C11 C1 120.09(12) . . ?
C13 C12 C11 119.26(13) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C12 C13 C14 119.21(14) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C15 C14 C13 118.49(13) . . ?
C15 C14 H14 120.8 . . ?
C13 C14 H14 120.8 . . ?
N1 C15 C14 123.56(14) . . ?
N1 C15 H15 118.2 . . ?
C14 C15 H15 118.2 . . ?
N2 C16 C17 122.25(12) . . ?
N2 C16 C9 116.38(11) . . ?
C17 C16 C9 121.25(12) . . ?
C18 C17 C16 119.42(13) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C17 C18 C19 118.64(14) . . ?
C17 C18 H18 120.7 . . ?
C19 C18 H18 120.7 . . ?
C20 C19 C18 118.47(13) . . ?
C20 C19 H19 120.8 . . ?
C18 C19 H19 120.8 . . ?
N2 C20 C19 123.72(14) . . ?
N2 C20 H20 118.1 . . ?
C19 C20 H20 118.1 . . ?

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
C10 C1 C2 C3 4.5(2) . . . . ?
C11 C1 C2 C3 -168.20(12) . . . . ?
C1 C2 C3 C4 3.4(2) . . . . ?
C2 C3 C4 C5 -5.3(2) . . . . ?
C3 C4 C5 C6 179.04(14) . . . . ?
C3 C4 C5 C10 -0.5(2) . . . . ?
C4 C5 C6 C7 178.79(14) . . . . ?
C10 C5 C6 C7 -1.7(2) . . . . ?
C5 C6 C7 C8 -4.3(2) . . . . ?
C6 C7 C8 C9 3.9(2) . . . . ?
C7 C8 C9 C10 2.6(2) . . . . ?
C7 C8 C9 C16 -171.59(12) . . . . ?
C6 C5 C10 C9 7.90(18) . . . . ?
C4 C5 C10 C9 -172.58(13) . . . . ?
C6 C5 C10 C1 -171.50(13) . . . . ?
C4 C5 C10 C1 8.02(18) . . . . ?
C8 C9 C10 C5 -8.33(18) . . . . ?
C16 C9 C10 C5 165.48(12) . . . . ?
C8 C9 C10 C1 171.01(13) . . . . ?
C16 C9 C10 C1 -15.2(2) . . . . ?
C2 C1 C10 C5 -9.91(17) . . . . ?
C11 C1 C10 C5 162.21(12) . . . . ?
C2 C1 C10 C9 170.74(13) . . . . ?
C11 C1 C10 C9 -17.1(2) . . . . ?
C15 N1 C11 C12 0.6(2) . . . . ?
C15 N1 C11 C1 174.67(11) . . . . ?
C2 C1 C11 N1 -45.18(17) . . . . ?
C10 C1 C11 N1 142.46(13) . . . . ?
C2 C1 C11 C12 129.05(14) . . . . ?
C10 C1 C11 C12 -43.31(19) . . . . ?
N1 C11 C12 C13 -2.5(2) . . . . ?
C1 C11 C12 C13 -176.41(12) . . . . ?
C11 C12 C13 C14 2.5(2) . . . . ?
C12 C13 C14 C15 -0.7(2) . . . . ?
C11 N1 C15 C14 1.3(2) . . . . ?
C13 C14 C15 N1 -1.3(2) . . . . ?
C20 N2 C16 C17 1.07(19) . . . . ?
C20 N2 C16 C9 177.06(12) . . . . ?
C8 C9 C16 N2 -53.32(17) . . . . ?
C10 C9 C16 N2 132.72(14) . . . . ?
C8 C9 C16 C17 122.72(14) . . . . ?
C10 C9 C16 C17 -51.25(18) . . . . ?
N2 C16 C17 C18 -0.8(2) . . . . ?
C9 C16 C17 C18 -176.56(13) . . . . ?
C16 C17 C18 C19 0.1(2) . . . . ?
C17 C18 C19 C20 0.2(2) . . . . ?
C16 N2 C20 C19 -0.8(2) . . . . ?
C18 C19 C20 N2 0.2(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.99
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.150
_refine_diff_density_min         -0.142
_refine_diff_density_rms         0.031


_database_code_depnum_ccdc_archive 'CCDC 827045'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_scs030

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H33 Cl5 N2 O2 Pt2 S2'
_chemical_formula_weight         1169.20

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'
O O 0.0106 0.0060 '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'
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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P212121

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   17.2805(2)
_cell_length_b                   17.2812(2)
_cell_length_c                   12.5128(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3736.67(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    11966
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      27.1

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.147
_exptl_crystal_size_mid          0.061
_exptl_crystal_size_min          0.047
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.078
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2232
_exptl_absorpt_coefficient_mu    7.986
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.52497
_exptl_absorpt_correction_T_max  0.73384
_exptl_absorpt_process_details   'Alcock(1970) crystallographic computing,p271'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(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  'CCD Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean 19.64
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28455
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_av_sigmaI/netI    0.1027
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.64
_diffrn_reflns_theta_max         26.99
_reflns_number_total             8115
_reflns_number_gt                6080
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_cell_refinement       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_data_reduction        
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'

_computing_structure_solution    'SIR-97_(Altomare & al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'MERCURY 2.4.5(CCDC, 2011)'
_computing_publication_material  'WINGX (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^)+(0.0093P)^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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.018(5)
_refine_ls_number_reflns         8115
_refine_ls_number_parameters     445
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0312
_refine_ls_wR_factor_ref         0.0415
_refine_ls_wR_factor_gt          0.0397
_refine_ls_goodness_of_fit_ref   0.796
_refine_ls_restrained_S_all      0.796
_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
C37 C 0.6650(4) 1.2290(4) 1.2338(4) 0.0320(19) Uani 1 1 d . . .
H37 H 0.6099 1.2420 1.2177 0.038 Uiso 1 1 calc R . .
Cl3 Cl 0.70792(12) 1.31047(13) 1.29585(15) 0.0430(6) Uani 1 1 d . . .
Cl4 Cl 0.71141(12) 1.20914(14) 1.11346(15) 0.0558(7) Uani 1 1 d . . .
Cl5 Cl 0.66566(14) 1.14979(11) 1.32001(15) 0.0475(6) Uani 1 1 d . . .
Pt1 Pt 0.150366(18) 0.761462(14) 0.874596(18) 0.01695(7) Uani 1 1 d . . .
Pt2 Pt 0.340654(18) 1.172069(15) 1.078140(18) 0.01758(7) Uani 1 1 d . . .
Cl1 Cl 0.02261(11) 0.71286(10) 0.83802(13) 0.0264(5) Uani 1 1 d . . .
Cl2 Cl 0.29317(11) 1.30007(10) 1.11490(14) 0.0279(5) Uani 1 1 d . . .
S1 S 0.19107(11) 0.63952(10) 0.89594(13) 0.0214(5) Uani 1 1 d . . .
S2 S 0.45835(12) 1.21285(10) 1.03797(13) 0.0217(5) Uani 1 1 d . . .
O1 O 0.2729(3) 0.6191(2) 0.8771(4) 0.0309(13) Uani 1 1 d . . .
O2 O 0.5242(2) 1.1813(2) 1.0992(3) 0.0217(11) Uani 1 1 d . . .
N1 N 0.1179(3) 0.8740(3) 0.8582(4) 0.0180(14) Uani 1 1 d . . .
N2 N 0.2372(3) 1.1216(3) 1.1098(4) 0.0168(14) Uani 1 1 d . . .
C1 C 0.0520(4) 0.8961(5) 0.8090(5) 0.027(2) Uani 1 1 d . . .
H1 H 0.0153 0.8578 0.7893 0.032 Uiso 1 1 calc R . .
C2 C 0.0361(5) 0.9737(4) 0.7860(5) 0.026(2) Uani 1 1 d . . .
H2 H -0.0119 0.9884 0.7551 0.031 Uiso 1 1 calc R . .
C3 C 0.0904(4) 1.0271(4) 0.8086(5) 0.0249(19) Uani 1 1 d . . .
H3 H 0.0826 1.0798 0.7897 0.030 Uiso 1 1 calc R . .
C4 C 0.1568(5) 1.0048(3) 0.8588(4) 0.0215(15) Uani 1 1 d . . .
H4 H 0.1945 1.0429 0.8759 0.026 Uiso 1 1 calc R . .
C5 C 0.1712(4) 0.9270(3) 0.8861(4) 0.017 Uani 1 1 d . . .
C6 C 0.2417(4) 0.8961(4) 0.9325(5) 0.0178(17) Uani 1 1 d . . .
C7 C 0.2481(4) 0.8151(4) 0.9167(4) 0.0146(15) Uani 1 1 d . . .
C8 C 0.3229(4) 0.7817(4) 0.9292(5) 0.0191(17) Uani 1 1 d . . .
H8 H 0.3290 0.7272 0.9225 0.023 Uiso 1 1 calc R . .
C9 C 0.3865(4) 0.8272(4) 0.9508(4) 0.0198(16) Uani 1 1 d . . .
H9 H 0.4367 0.8046 0.9500 0.024 Uiso 1 1 calc R . .
C10 C 0.3785(4) 0.9060(4) 0.9740(5) 0.0178(18) Uani 1 1 d . . .
C11 C 0.3039(4) 0.9399(4) 0.9794(5) 0.0162(17) Uani 1 1 d . . .
C12 C 0.4429(4) 0.9517(4) 0.9945(4) 0.0194(17) Uani 1 1 d . . .
H12 H 0.4927 0.9285 0.9919 0.023 Uiso 1 1 calc R . .
C13 C 0.4375(4) 1.0291(4) 1.0183(5) 0.0193(18) Uani 1 1 d . . .
H13 H 0.4831 1.0596 1.0225 0.023 Uiso 1 1 calc R . .
C14 C 0.3631(4) 1.0643(4) 1.0368(4) 0.0213(18) Uani 1 1 d . . .
C15 C 0.2986(4) 1.0171(4) 1.0254(5) 0.0196(18) Uani 1 1 d . . .
C16 C 0.2301(4) 1.0460(4) 1.0794(5) 0.0157(15) Uani 1 1 d . . .
C17 C 0.1661(4) 1.0025(4) 1.1116(4) 0.0237(17) Uani 1 1 d . . .
H17 H 0.1620 0.9494 1.0930 0.028 Uiso 1 1 calc R . .
C18 C 0.1083(4) 1.0382(4) 1.1714(5) 0.029(2) Uani 1 1 d . . .
H18 H 0.0647 1.0090 1.1942 0.035 Uiso 1 1 calc R . .
C19 C 0.1136(4) 1.1139(5) 1.1972(5) 0.028(2) Uani 1 1 d . . .
H19 H 0.0733 1.1388 1.2358 0.034 Uiso 1 1 calc R . .
C20 C 0.1786(4) 1.1543(4) 1.1664(5) 0.0194(18) Uani 1 1 d . . .
H20 H 0.1826 1.2073 1.1855 0.023 Uiso 1 1 calc R . .
C21 C 0.1667(5) 0.6075(4) 1.0272(4) 0.0211(17) Uani 1 1 d . . .
C22 C 0.1921(4) 0.5357(4) 1.0618(6) 0.031(2) Uani 1 1 d . . .
H22 H 0.2196 0.5028 1.0143 0.037 Uiso 1 1 calc R . .
C23 C 0.1778(5) 0.5125(4) 1.1627(5) 0.033(2) Uani 1 1 d . . .
H23 H 0.1962 0.4632 1.1850 0.039 Uiso 1 1 calc R . .
C24 C 0.1371(5) 0.5580(4) 1.2358(5) 0.027(2) Uani 1 1 d . . .
C25 C 0.1119(4) 0.6289(5) 1.1991(6) 0.032(2) Uani 1 1 d . . .
H25 H 0.0835 0.6616 1.2457 0.038 Uiso 1 1 calc R . .
C26 C 0.1273(4) 0.6537(4) 1.0952(5) 0.0261(18) Uani 1 1 d . . .
H26 H 0.1100 0.7031 1.0723 0.031 Uiso 1 1 calc R . .
C27 C 0.1257(4) 0.5378(4) 1.3502(5) 0.035(2) Uani 1 1 d . . .
H27A H 0.1468 0.4861 1.3639 0.052 Uiso 1 1 calc R . .
H27B H 0.0703 0.5383 1.3670 0.052 Uiso 1 1 calc R . .
H27C H 0.1525 0.5757 1.3952 0.052 Uiso 1 1 calc R . .
C28 C 0.1370(5) 0.5722(4) 0.8186(5) 0.031(2) Uani 1 1 d . . .
H28A H 0.1450 0.5827 0.7425 0.046 Uiso 1 1 calc R . .
H28B H 0.0819 0.5772 0.8357 0.046 Uiso 1 1 calc R . .
H28C H 0.1543 0.5195 0.8350 0.046 Uiso 1 1 calc R . .
C29 C 0.4761(4) 1.1921(4) 0.9000(5) 0.0196(17) Uani 1 1 d . . .
C30 C 0.5503(4) 1.1803(4) 0.8652(5) 0.0207(16) Uani 1 1 d . . .
H30 H 0.5923 1.1853 0.9137 0.025 Uiso 1 1 calc R . .
C31 C 0.5642(4) 1.1613(4) 0.7599(5) 0.0214(17) Uani 1 1 d . . .
H31 H 0.6156 1.1506 0.7374 0.026 Uiso 1 1 calc R . .
C32 C 0.5049(4) 1.1577(4) 0.6869(5) 0.0215(18) Uani 1 1 d . . .
C33 C 0.4306(4) 1.1702(4) 0.7225(5) 0.0219(17) Uani 1 1 d . . .
H33 H 0.3888 1.1662 0.6736 0.026 Uiso 1 1 calc R . .
C34 C 0.4154(4) 1.1886(4) 0.8293(5) 0.0282(19) Uani 1 1 d . . .
H34 H 0.3640 1.1985 0.8525 0.034 Uiso 1 1 calc R . .
C35 C 0.5190(4) 1.1380(4) 0.5720(5) 0.0255(19) Uani 1 1 d . . .
H35A H 0.4698 1.1388 0.5330 0.038 Uiso 1 1 calc R . .
H35B H 0.5419 1.0862 0.5671 0.038 Uiso 1 1 calc R . .
H35C H 0.5545 1.1759 0.5407 0.038 Uiso 1 1 calc R . .
C36 C 0.4691(4) 1.3148(4) 1.0390(5) 0.029(2) Uani 1 1 d . . .
H36A H 0.4608 1.3343 1.1116 0.043 Uiso 1 1 calc R . .
H36B H 0.4311 1.3381 0.9906 0.043 Uiso 1 1 calc R . .
H36C H 0.5214 1.3285 1.0153 0.043 Uiso 1 1 calc R . .

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
C37 0.010(4) 0.063(5) 0.024(3) -0.005(3) -0.002(4) -0.008(5)
Cl3 0.0363(14) 0.0468(16) 0.0458(13) -0.0038(11) 0.0012(11) -0.0063(11)
Cl4 0.0306(13) 0.105(2) 0.0317(11) -0.0187(11) 0.0081(10) -0.0120(12)
Cl5 0.0403(15) 0.0449(13) 0.0574(12) 0.0073(9) -0.0027(13) 0.0017(12)
Pt1 0.01509(15) 0.01676(15) 0.01900(13) -0.00145(11) -0.00033(15) -0.00154(14)
Pt2 0.01682(16) 0.01666(15) 0.01925(13) -0.00226(11) -0.00124(15) -0.00164(16)
Cl1 0.0185(11) 0.0307(12) 0.0300(10) 0.0013(8) -0.0024(8) -0.0086(8)
Cl2 0.0321(12) 0.0200(10) 0.0317(10) -0.0077(8) -0.0026(10) 0.0009(9)
S1 0.0190(11) 0.0178(11) 0.0274(12) -0.0037(8) 0.0020(8) -0.0033(8)
S2 0.0237(13) 0.0224(12) 0.0191(9) -0.0035(8) -0.0010(9) -0.0039(9)
O1 0.030(3) 0.015(3) 0.048(3) -0.005(3) 0.002(3) -0.001(2)
O2 0.016(3) 0.026(3) 0.023(3) -0.003(2) -0.004(2) -0.005(2)
N1 0.012(3) 0.028(4) 0.015(3) 0.004(3) -0.002(3) 0.001(3)
N2 0.025(4) 0.009(3) 0.015(3) -0.007(2) -0.010(3) 0.000(3)
C1 0.020(5) 0.048(6) 0.012(4) -0.001(4) 0.003(3) 0.000(4)
C2 0.024(5) 0.036(5) 0.017(4) -0.002(4) -0.013(4) 0.009(4)
C3 0.033(6) 0.016(5) 0.026(4) 0.000(3) -0.002(4) 0.008(4)
C4 0.023(4) 0.017(4) 0.025(4) -0.004(3) -0.007(4) -0.001(4)
C5 0.018 0.015 0.019 -0.002 0.009 0.004
C6 0.021(5) 0.016(4) 0.017(4) -0.002(3) 0.008(3) 0.005(3)
C7 0.021(4) 0.018(4) 0.004(3) 0.001(3) -0.002(3) 0.006(3)
C8 0.023(5) 0.010(4) 0.024(4) -0.001(3) -0.001(3) 0.003(3)
C9 0.016(4) 0.021(4) 0.022(4) 0.006(3) -0.002(3) 0.007(4)
C10 0.020(5) 0.018(5) 0.016(4) -0.004(3) 0.003(3) 0.001(3)
C11 0.027(5) 0.005(4) 0.017(4) -0.005(3) -0.005(3) 0.000(3)
C12 0.016(5) 0.025(5) 0.018(4) 0.003(3) -0.002(3) 0.005(3)
C13 0.017(5) 0.018(5) 0.024(4) 0.003(3) 0.000(4) -0.006(3)
C14 0.012(5) 0.037(5) 0.014(3) 0.006(3) -0.003(3) 0.000(4)
C15 0.021(5) 0.024(5) 0.014(4) 0.000(3) 0.004(3) 0.003(4)
C16 0.014(4) 0.022(4) 0.011(3) 0.000(3) -0.004(3) -0.001(3)
C17 0.028(5) 0.025(4) 0.019(4) -0.007(3) 0.004(4) -0.003(4)
C18 0.023(5) 0.037(6) 0.026(4) 0.001(4) 0.013(4) -0.013(4)
C19 0.025(5) 0.035(5) 0.025(4) -0.005(4) 0.004(4) 0.004(4)
C20 0.017(5) 0.013(4) 0.028(4) -0.013(3) -0.006(3) 0.001(3)
C21 0.020(5) 0.022(4) 0.022(4) -0.006(3) -0.002(4) -0.005(4)
C22 0.027(5) 0.032(5) 0.034(5) -0.005(4) 0.007(4) 0.008(4)
C23 0.049(7) 0.021(4) 0.029(4) 0.006(4) -0.006(4) 0.006(4)
C24 0.033(6) 0.016(4) 0.033(4) 0.010(3) 0.001(4) -0.003(4)
C25 0.028(6) 0.039(6) 0.029(5) -0.014(4) 0.016(4) 0.001(4)
C26 0.023(5) 0.018(4) 0.037(4) -0.004(3) 0.001(3) 0.004(3)
C27 0.046(6) 0.028(5) 0.031(5) 0.007(3) 0.005(4) 0.004(4)
C28 0.036(6) 0.019(4) 0.036(4) -0.006(3) 0.006(4) -0.003(4)
C29 0.024(5) 0.017(4) 0.018(4) -0.001(3) -0.012(3) -0.003(3)
C30 0.022(4) 0.018(4) 0.023(4) 0.002(4) -0.002(3) -0.009(3)
C31 0.014(4) 0.028(5) 0.022(4) 0.000(3) -0.001(3) -0.004(4)
C32 0.033(5) 0.009(4) 0.023(4) 0.004(3) 0.004(4) -0.001(4)
C33 0.024(5) 0.024(4) 0.018(4) 0.006(3) -0.009(3) -0.003(4)
C34 0.019(5) 0.040(5) 0.025(4) -0.003(4) 0.003(3) 0.002(4)
C35 0.035(5) 0.019(4) 0.022(4) 0.000(3) -0.007(4) -0.004(3)
C36 0.042(6) 0.027(5) 0.017(4) -0.008(3) 0.008(4) -0.011(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
C37 Cl4 1.740(6) . ?
C37 Cl5 1.742(7) . ?
C37 Cl3 1.770(7) . ?
C37 H37 1.0000 . ?
Pt1 C7 1.998(6) . ?
Pt1 N1 2.034(5) . ?
Pt1 S1 2.2376(18) . ?
Pt1 Cl1 2.4059(18) . ?
Pt2 C14 1.971(7) . ?
Pt2 N2 2.029(5) . ?
Pt2 S2 2.210(2) . ?
Pt2 Cl2 2.4038(17) . ?
S1 O1 1.476(5) . ?
S1 C28 1.779(6) . ?
S1 C21 1.784(6) . ?
S2 O2 1.477(4) . ?
S2 C36 1.772(7) . ?
S2 C29 1.790(6) . ?
N1 C1 1.349(8) . ?
N1 C5 1.346(7) . ?
N2 C20 1.359(7) . ?
N2 C16 1.366(8) . ?
C1 C2 1.398(10) . ?
C1 H1 0.9500 . ?
C2 C3 1.347(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.363(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.409(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.452(9) . ?
C6 C7 1.418(8) . ?
C6 C11 1.439(9) . ?
C7 C8 1.424(8) . ?
C8 C9 1.379(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.400(9) . ?
C9 H9 0.9500 . ?
C10 C12 1.388(9) . ?
C10 C11 1.418(9) . ?
C11 C15 1.456(9) . ?
C12 C13 1.373(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.441(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.389(9) . ?
C15 C16 1.451(9) . ?
C16 C17 1.398(8) . ?
C17 C18 1.391(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.350(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.377(9) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C26 1.350(8) . ?
C21 C22 1.387(8) . ?
C22 C23 1.348(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.397(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.378(9) . ?
C24 C27 1.488(8) . ?
C25 C26 1.394(8) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.370(8) . ?
C29 C34 1.374(8) . ?
C30 C31 1.378(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.374(8) . ?
C31 H31 0.9500 . ?
C32 C33 1.375(9) . ?
C32 C35 1.497(8) . ?
C33 C34 1.398(8) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?

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
Cl4 C37 Cl5 112.2(4) . . ?
Cl4 C37 Cl3 110.1(4) . . ?
Cl5 C37 Cl3 110.5(3) . . ?
Cl4 C37 H37 108.0 . . ?
Cl5 C37 H37 108.0 . . ?
Cl3 C37 H37 108.0 . . ?
C7 Pt1 N1 79.4(2) . . ?
C7 Pt1 S1 98.04(19) . . ?
N1 Pt1 S1 177.44(17) . . ?
C7 Pt1 Cl1 171.16(18) . . ?
N1 Pt1 Cl1 93.50(16) . . ?
S1 Pt1 Cl1 88.99(6) . . ?
C14 Pt2 N2 79.5(3) . . ?
C14 Pt2 S2 93.5(2) . . ?
N2 Pt2 S2 173.00(15) . . ?
C14 Pt2 Cl2 170.7(2) . . ?
N2 Pt2 Cl2 93.30(15) . . ?
S2 Pt2 Cl2 93.68(6) . . ?
O1 S1 C28 105.0(3) . . ?
O1 S1 C21 107.5(3) . . ?
C28 S1 C21 100.0(3) . . ?
O1 S1 Pt1 120.5(2) . . ?
C28 S1 Pt1 112.7(2) . . ?
C21 S1 Pt1 109.1(2) . . ?
O2 S2 C36 106.4(3) . . ?
O2 S2 C29 107.1(3) . . ?
C36 S2 C29 100.9(3) . . ?
O2 S2 Pt2 118.28(18) . . ?
C36 S2 Pt2 114.3(3) . . ?
C29 S2 Pt2 108.2(2) . . ?
C1 N1 C5 120.1(6) . . ?
C1 N1 Pt1 123.4(5) . . ?
C5 N1 Pt1 115.9(4) . . ?
C20 N2 C16 118.4(6) . . ?
C20 N2 Pt2 125.4(4) . . ?
C16 N2 Pt2 115.8(4) . . ?
N1 C1 C2 122.1(7) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C3 C2 C1 118.5(7) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C2 C3 C4 119.3(7) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C3 C4 C5 122.0(7) . . ?
C3 C4 H4 119.0 . . ?
C5 C4 H4 119.0 . . ?
N1 C5 C4 117.8(6) . . ?
N1 C5 C6 115.3(6) . . ?
C4 C5 C6 126.6(6) . . ?
C7 C6 C11 121.1(6) . . ?
C7 C6 C5 111.9(6) . . ?
C11 C6 C5 126.6(6) . . ?
C6 C7 C8 117.2(6) . . ?
C6 C7 Pt1 115.4(5) . . ?
C8 C7 Pt1 127.4(5) . . ?
C9 C8 C7 120.9(6) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 121.1(6) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
C12 C10 C9 120.8(7) . . ?
C12 C10 C11 119.1(7) . . ?
C9 C10 C11 120.1(6) . . ?
C10 C11 C6 116.3(6) . . ?
C10 C11 C15 117.0(6) . . ?
C6 C11 C15 126.6(7) . . ?
C13 C12 C10 122.6(7) . . ?
C13 C12 H12 118.7 . . ?
C10 C12 H12 118.7 . . ?
C12 C13 C14 120.5(7) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C15 C14 C13 116.8(7) . . ?
C15 C14 Pt2 115.1(5) . . ?
C13 C14 Pt2 128.1(5) . . ?
C14 C15 C16 113.9(6) . . ?
C14 C15 C11 121.9(7) . . ?
C16 C15 C11 123.4(7) . . ?
N2 C16 C17 120.3(6) . . ?
N2 C16 C15 112.7(6) . . ?
C17 C16 C15 126.5(6) . . ?
C18 C17 C16 119.0(6) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C19 C18 C17 120.6(7) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C20 118.6(7) . . ?
C18 C19 H19 120.7 . . ?
C20 C19 H19 120.7 . . ?
N2 C20 C19 122.9(6) . . ?
N2 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
C26 C21 C22 119.5(6) . . ?
C26 C21 S1 121.1(5) . . ?
C22 C21 S1 119.3(5) . . ?
C23 C22 C21 120.0(7) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 122.5(7) . . ?
C22 C23 H23 118.7 . . ?
C24 C23 H23 118.7 . . ?
C25 C24 C23 116.2(6) . . ?
C25 C24 C27 119.2(6) . . ?
C23 C24 C27 124.4(7) . . ?
C24 C25 C26 121.5(7) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 H25 119.2 . . ?
C21 C26 C25 120.2(6) . . ?
C21 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
S1 C28 H28A 109.5 . . ?
S1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
S1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C34 120.3(6) . . ?
C30 C29 S2 119.8(5) . . ?
C34 C29 S2 119.9(6) . . ?
C29 C30 C31 120.1(6) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C32 C31 C30 121.1(7) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C31 C32 C33 118.2(6) . . ?
C31 C32 C35 121.8(7) . . ?
C33 C32 C35 119.9(7) . . ?
C32 C33 C34 121.4(6) . . ?
C32 C33 H33 119.3 . . ?
C34 C33 H33 119.3 . . ?
C29 C34 C33 118.8(7) . . ?
C29 C34 H34 120.6 . . ?
C33 C34 H34 120.6 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
S2 C36 H36A 109.5 . . ?
S2 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
S2 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?

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
C7 Pt1 S1 O1 -31.5(3) . . . . ?
N1 Pt1 S1 O1 -40(3) . . . . ?
Cl1 Pt1 S1 O1 153.9(2) . . . . ?
C7 Pt1 S1 C28 -156.4(3) . . . . ?
N1 Pt1 S1 C28 -164(3) . . . . ?
Cl1 Pt1 S1 C28 28.9(3) . . . . ?
C7 Pt1 S1 C21 93.4(3) . . . . ?
N1 Pt1 S1 C21 85(3) . . . . ?
Cl1 Pt1 S1 C21 -81.2(3) . . . . ?
C14 Pt2 S2 O2 -63.4(3) . . . . ?
N2 Pt2 S2 O2 -61.8(12) . . . . ?
Cl2 Pt2 S2 O2 122.6(2) . . . . ?
C14 Pt2 S2 C36 170.0(3) . . . . ?
N2 Pt2 S2 C36 171.7(11) . . . . ?
Cl2 Pt2 S2 C36 -3.9(2) . . . . ?
C14 Pt2 S2 C29 58.5(3) . . . . ?
N2 Pt2 S2 C29 60.1(12) . . . . ?
Cl2 Pt2 S2 C29 -115.5(2) . . . . ?
C7 Pt1 N1 C1 167.9(5) . . . . ?
S1 Pt1 N1 C1 176(3) . . . . ?
Cl1 Pt1 N1 C1 -17.5(5) . . . . ?
C7 Pt1 N1 C5 -3.1(4) . . . . ?
S1 Pt1 N1 C5 5(4) . . . . ?
Cl1 Pt1 N1 C5 171.6(4) . . . . ?
C14 Pt2 N2 C20 167.3(5) . . . . ?
S2 Pt2 N2 C20 165.6(9) . . . . ?
Cl2 Pt2 N2 C20 -18.7(5) . . . . ?
C14 Pt2 N2 C16 -6.4(4) . . . . ?
S2 Pt2 N2 C16 -8.0(15) . . . . ?
Cl2 Pt2 N2 C16 167.6(4) . . . . ?
C5 N1 C1 C2 -0.6(10) . . . . ?
Pt1 N1 C1 C2 -171.1(5) . . . . ?
N1 C1 C2 C3 3.8(10) . . . . ?
C1 C2 C3 C4 -4.0(10) . . . . ?
C2 C3 C4 C5 1.3(10) . . . . ?
C1 N1 C5 C4 -2.2(9) . . . . ?
Pt1 N1 C5 C4 169.1(4) . . . . ?
C1 N1 C5 C6 -176.3(6) . . . . ?
Pt1 N1 C5 C6 -5.1(7) . . . . ?
C3 C4 C5 N1 1.9(9) . . . . ?
C3 C4 C5 C6 175.3(6) . . . . ?
N1 C5 C6 C7 13.7(8) . . . . ?
C4 C5 C6 C7 -159.8(6) . . . . ?
N1 C5 C6 C11 -172.8(6) . . . . ?
C4 C5 C6 C11 13.7(10) . . . . ?
C11 C6 C7 C8 -11.9(9) . . . . ?
C5 C6 C7 C8 161.9(5) . . . . ?
C11 C6 C7 Pt1 169.8(5) . . . . ?
C5 C6 C7 Pt1 -16.3(7) . . . . ?
N1 Pt1 C7 C6 10.8(5) . . . . ?
S1 Pt1 C7 C6 -168.8(4) . . . . ?
Cl1 Pt1 C7 C6 -26.4(15) . . . . ?
N1 Pt1 C7 C8 -167.2(6) . . . . ?
S1 Pt1 C7 C8 13.2(6) . . . . ?
Cl1 Pt1 C7 C8 155.6(8) . . . . ?
C6 C7 C8 C9 -3.0(9) . . . . ?
Pt1 C7 C8 C9 175.0(4) . . . . ?
C7 C8 C9 C10 7.9(9) . . . . ?
C8 C9 C10 C12 -179.2(6) . . . . ?
C8 C9 C10 C11 2.3(9) . . . . ?
C12 C10 C11 C6 165.1(6) . . . . ?
C9 C10 C11 C6 -16.3(9) . . . . ?
C12 C10 C11 C15 -11.1(9) . . . . ?
C9 C10 C11 C15 167.4(5) . . . . ?
C7 C6 C11 C10 21.4(10) . . . . ?
C5 C6 C11 C10 -151.5(6) . . . . ?
C7 C6 C11 C15 -162.8(6) . . . . ?
C5 C6 C11 C15 24.3(11) . . . . ?
C9 C10 C12 C13 -179.5(5) . . . . ?
C11 C10 C12 C13 -1.0(10) . . . . ?
C10 C12 C13 C14 8.2(9) . . . . ?
C12 C13 C14 C15 -2.3(9) . . . . ?
C12 C13 C14 Pt2 177.0(4) . . . . ?
N2 Pt2 C14 C15 14.3(5) . . . . ?
S2 Pt2 C14 C15 -165.9(4) . . . . ?
Cl2 Pt2 C14 C15 -26.1(15) . . . . ?
N2 Pt2 C14 C13 -165.1(6) . . . . ?
S2 Pt2 C14 C13 14.7(5) . . . . ?
Cl2 Pt2 C14 C13 154.5(8) . . . . ?
C13 C14 C15 C16 159.6(6) . . . . ?
Pt2 C14 C15 C16 -19.8(7) . . . . ?
C13 C14 C15 C11 -10.3(9) . . . . ?
Pt2 C14 C15 C11 170.2(4) . . . . ?
C10 C11 C15 C14 17.1(9) . . . . ?
C6 C11 C15 C14 -158.6(6) . . . . ?
C10 C11 C15 C16 -151.9(6) . . . . ?
C6 C11 C15 C16 32.3(10) . . . . ?
C20 N2 C16 C17 -3.8(9) . . . . ?
Pt2 N2 C16 C17 170.3(5) . . . . ?
C20 N2 C16 C15 -176.4(6) . . . . ?
Pt2 N2 C16 C15 -2.3(7) . . . . ?
C14 C15 C16 N2 14.1(8) . . . . ?
C11 C15 C16 N2 -176.1(5) . . . . ?
C14 C15 C16 C17 -158.0(6) . . . . ?
C11 C15 C16 C17 11.8(11) . . . . ?
N2 C16 C17 C18 2.6(10) . . . . ?
C15 C16 C17 C18 174.1(6) . . . . ?
C16 C17 C18 C19 0.5(11) . . . . ?
C17 C18 C19 C20 -2.2(11) . . . . ?
C16 N2 C20 C19 2.1(9) . . . . ?
Pt2 N2 C20 C19 -171.4(5) . . . . ?
C18 C19 C20 N2 0.9(10) . . . . ?
O1 S1 C21 C26 134.2(6) . . . . ?
C28 S1 C21 C26 -116.4(6) . . . . ?
Pt1 S1 C21 C26 2.0(7) . . . . ?
O1 S1 C21 C22 -42.3(7) . . . . ?
C28 S1 C21 C22 67.0(6) . . . . ?
Pt1 S1 C21 C22 -174.5(5) . . . . ?
C26 C21 C22 C23 -0.3(11) . . . . ?
S1 C21 C22 C23 176.3(6) . . . . ?
C21 C22 C23 C24 0.6(12) . . . . ?
C22 C23 C24 C25 -0.1(12) . . . . ?
C22 C23 C24 C27 -174.7(7) . . . . ?
C23 C24 C25 C26 -0.7(11) . . . . ?
C27 C24 C25 C26 174.1(7) . . . . ?
C22 C21 C26 C25 -0.5(11) . . . . ?
S1 C21 C26 C25 -177.0(5) . . . . ?
C24 C25 C26 C21 1.0(11) . . . . ?
O2 S2 C29 C30 -24.0(6) . . . . ?
C36 S2 C29 C30 87.2(6) . . . . ?
Pt2 S2 C29 C30 -152.5(5) . . . . ?
O2 S2 C29 C34 156.5(5) . . . . ?
C36 S2 C29 C34 -92.3(6) . . . . ?
Pt2 S2 C29 C34 28.0(6) . . . . ?
C34 C29 C30 C31 -3.0(10) . . . . ?
S2 C29 C30 C31 177.5(5) . . . . ?
C29 C30 C31 C32 3.3(10) . . . . ?
C30 C31 C32 C33 -2.8(10) . . . . ?
C30 C31 C32 C35 179.3(6) . . . . ?
C31 C32 C33 C34 2.0(11) . . . . ?
C35 C32 C33 C34 179.9(6) . . . . ?
C30 C29 C34 C33 2.2(10) . . . . ?
S2 C29 C34 C33 -178.3(5) . . . . ?
C32 C33 C34 C29 -1.7(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.99
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.813
_refine_diff_density_min         -1.021
_refine_diff_density_rms         0.142


_database_code_depnum_ccdc_archive 'CCDC 846305'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_scs220

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H26 N2 O4 Pt2'
_chemical_formula_weight         868.71

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'
O O 0.0106 0.0060 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   11.8533(2)
_cell_length_b                   9.92050(10)
_cell_length_c                   22.5187(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.333(2)
_cell_angle_gamma                90.00
_cell_volume                     2576.62(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    15670
_cell_measurement_theta_min      2.71
_cell_measurement_theta_max      28.0

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.234
_exptl_crystal_size_mid          0.189
_exptl_crystal_size_min          0.131
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.240
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1632
_exptl_absorpt_coefficient_mu    10.888
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.15490
_exptl_absorpt_correction_T_max  0.33631
_exptl_absorpt_process_details   'Alcock(1970) crystallographic computing,p271'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(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  'CCD Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean 19.64
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18028
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.71
_diffrn_reflns_theta_max         27.00
_reflns_number_total             2815
_reflns_number_gt                2385
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_cell_refinement       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_data_reduction        
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'

_computing_structure_solution    'SIR-97_(Altomare & al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'MERCURY 2.4.5(CCDC, 2011)'
_computing_publication_material  'WINGX (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^)+(0.0390P)^2^+1.9847P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2815
_refine_ls_number_parameters     173
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0232
_refine_ls_wR_factor_ref         0.0603
_refine_ls_wR_factor_gt          0.0586
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_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 0.106427(14) 0.096412(16) 0.588977(8) 0.02254(7) Uani 1 1 d . . .
N1 N 0.1333(3) -0.0388(4) 0.65633(17) 0.0222(8) Uani 1 1 d . . .
O1 O 0.1654(3) -0.0310(3) 0.52974(15) 0.0304(7) Uani 1 1 d . . .
O2 O 0.0730(3) 0.2437(3) 0.52711(14) 0.0275(7) Uani 1 1 d . . .
C1 C 0.1838(4) -0.1572(5) 0.6531(2) 0.0290(10) Uani 1 1 d . . .
H1 H 0.2047 -0.1814 0.6162 0.035 Uiso 1 1 calc R . .
C2 C 0.2071(4) -0.2466(5) 0.7015(2) 0.0312(11) Uani 1 1 d . . .
H2 H 0.2394 -0.3329 0.6975 0.037 Uiso 1 1 calc R . .
C3 C 0.1820(4) -0.2070(5) 0.7561(2) 0.0280(10) Uani 1 1 d . . .
H3 H 0.2008 -0.2641 0.7908 0.034 Uiso 1 1 calc R . .
C4 C 0.1289(4) -0.0826(4) 0.7596(2) 0.0226(9) Uani 1 1 d . . .
H4 H 0.1125 -0.0537 0.7969 0.027 Uiso 1 1 calc R . .
C5 C 0.1003(3) -0.0011(4) 0.7079(2) 0.0214(9) Uani 1 1 d . . .
C6 C 0.0439(4) 0.1339(4) 0.7030(2) 0.0221(9) Uani 1 1 d . . .
C7 C 0.0548(4) 0.2029(4) 0.6508(2) 0.0226(9) Uani 1 1 d . . .
C8 C 0.0367(4) 0.3441(5) 0.6489(2) 0.0273(10) Uani 1 1 d . . .
H8 H 0.0380 0.3928 0.6127 0.033 Uiso 1 1 calc R . .
C9 C 0.0176(4) 0.4102(4) 0.6986(2) 0.0298(10) Uani 1 1 d . . .
H9 H 0.0162 0.5060 0.6983 0.036 Uiso 1 1 calc R . .
C10 C 0.0000 0.3421(6) 0.7500 0.0251(13) Uani 1 2 d S . .
C11 C 0.0000 0.1968(6) 0.7500 0.0208(12) Uani 1 2 d S . .
C12 C 0.2299(5) -0.0977(5) 0.4433(3) 0.0390(12) Uani 1 1 d . . .
H12A H 0.2459 -0.1800 0.4679 0.059 Uiso 1 1 calc R . .
H12B H 0.3024 -0.0628 0.4354 0.059 Uiso 1 1 calc R . .
H12C H 0.1758 -0.1182 0.4044 0.059 Uiso 1 1 calc R . .
C13 C 0.1772(4) 0.0062(5) 0.4772(2) 0.0292(10) Uani 1 1 d . . .
C14 C 0.1470(4) 0.1302(5) 0.4503(2) 0.0327(11) Uani 1 1 d . . .
H14 H 0.1623 0.1436 0.4111 0.039 Uiso 1 1 calc R . .
C15 C 0.0965(4) 0.2376(5) 0.4743(2) 0.0280(10) Uani 1 1 d . . .
C16 C 0.0661(4) 0.3609(5) 0.4364(2) 0.0354(11) Uani 1 1 d . . .
H16A H 0.0315 0.4277 0.4590 0.053 Uiso 1 1 calc R . .
H16B H 0.0104 0.3377 0.3984 0.053 Uiso 1 1 calc R . .
H16C H 0.1363 0.3986 0.4269 0.053 Uiso 1 1 calc R . .

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 0.02360(10) 0.02419(10) 0.02171(11) -0.00140(7) 0.00906(7) -0.00009(7)
N1 0.0260(19) 0.0190(17) 0.0225(19) -0.0010(15) 0.0077(15) 0.0017(14)
O1 0.0319(18) 0.0356(18) 0.0260(18) -0.0061(15) 0.0113(14) 0.0043(14)
O2 0.0295(16) 0.0282(17) 0.0272(18) 0.0027(13) 0.0113(14) 0.0003(13)
C1 0.026(2) 0.032(2) 0.029(3) -0.007(2) 0.006(2) 0.0053(19)
C2 0.031(3) 0.029(3) 0.032(3) -0.005(2) 0.005(2) 0.0097(19)
C3 0.021(2) 0.025(2) 0.036(3) 0.003(2) 0.0007(19) 0.0027(18)
C4 0.021(2) 0.020(2) 0.028(2) 0.0018(17) 0.0069(18) 0.0012(16)
C5 0.017(2) 0.022(2) 0.025(2) -0.0034(17) 0.0034(17) -0.0015(16)
C6 0.023(2) 0.019(2) 0.025(2) -0.0003(17) 0.0070(18) -0.0039(17)
C7 0.020(2) 0.026(2) 0.023(2) -0.0011(19) 0.0084(17) -0.0020(18)
C8 0.036(3) 0.020(2) 0.028(3) 0.0040(19) 0.013(2) 0.0011(19)
C9 0.039(3) 0.019(2) 0.034(3) 0.0052(19) 0.013(2) 0.0001(19)
C10 0.026(3) 0.019(3) 0.034(4) 0.000 0.014(3) 0.000
C11 0.021(3) 0.018(3) 0.024(3) 0.000 0.006(2) 0.000
C12 0.040(3) 0.048(3) 0.030(3) -0.006(2) 0.011(2) 0.010(2)
C13 0.025(2) 0.039(3) 0.025(2) -0.006(2) 0.0065(19) -0.0022(19)
C14 0.030(3) 0.045(3) 0.023(3) -0.005(2) 0.007(2) -0.009(2)
C15 0.024(2) 0.038(3) 0.021(2) 0.0004(19) 0.0039(18) -0.0055(19)
C16 0.037(3) 0.040(3) 0.028(3) 0.001(2) 0.007(2) 0.002(2)

_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 C7 1.955(4) . ?
Pt1 N1 1.994(4) . ?
Pt1 O2 1.994(3) . ?
Pt1 O1 2.072(3) . ?
N1 C1 1.329(6) . ?
N1 C5 1.360(5) . ?
O1 C13 1.278(6) . ?
O2 C15 1.283(5) . ?
C1 C2 1.383(7) . ?
C1 H1 0.9500 . ?
C2 C3 1.386(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.396(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.490(6) . ?
C6 C7 1.391(6) . ?
C6 C11 1.427(5) . ?
C7 C8 1.416(6) . ?
C8 C9 1.360(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.398(6) . ?
C9 H9 0.9500 . ?
C10 C9 1.398(6) 2_556 ?
C10 C11 1.442(8) . ?
C11 C6 1.427(5) 2_556 ?
C12 C13 1.502(7) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.382(7) . ?
C14 C15 1.391(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.488(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?

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
C7 Pt1 N1 80.97(16) . . ?
C7 Pt1 O2 93.29(16) . . ?
N1 Pt1 O2 174.25(13) . . ?
C7 Pt1 O1 174.46(15) . . ?
N1 Pt1 O1 93.50(14) . . ?
O2 Pt1 O1 92.24(13) . . ?
C1 N1 C5 120.8(4) . . ?
C1 N1 Pt1 123.2(3) . . ?
C5 N1 Pt1 116.0(3) . . ?
C13 O1 Pt1 123.1(3) . . ?
C15 O2 Pt1 124.2(3) . . ?
N1 C1 C2 122.3(4) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C1 C2 C3 118.2(4) . . ?
C1 C2 H2 120.9 . . ?
C3 C2 H2 120.9 . . ?
C2 C3 C4 119.5(4) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 119.5(4) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
N1 C5 C4 119.4(4) . . ?
N1 C5 C6 113.3(4) . . ?
C4 C5 C6 127.1(4) . . ?
C7 C6 C11 122.2(4) . . ?
C7 C6 C5 112.2(4) . . ?
C11 C6 C5 124.9(4) . . ?
C6 C7 C8 118.0(4) . . ?
C6 C7 Pt1 116.1(3) . . ?
C8 C7 Pt1 125.6(3) . . ?
C9 C8 C7 120.3(4) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 122.2(4) . . ?
C8 C9 H9 118.9 . . ?
C10 C9 H9 118.9 . . ?
C9 C10 C9 122.2(6) 2_556 . ?
C9 C10 C11 118.9(3) 2_556 . ?
C9 C10 C11 118.9(3) . . ?
C6 C11 C6 128.1(5) 2_556 . ?
C6 C11 C10 115.9(3) 2_556 . ?
C6 C11 C10 115.9(3) . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O1 C13 C14 126.2(4) . . ?
O1 C13 C12 114.8(4) . . ?
C14 C13 C12 119.0(4) . . ?
C13 C14 C15 127.0(5) . . ?
C13 C14 H14 116.5 . . ?
C15 C14 H14 116.5 . . ?
O2 C15 C14 127.0(4) . . ?
O2 C15 C16 114.7(4) . . ?
C14 C15 C16 118.4(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?

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
C7 Pt1 N1 C1 -174.4(4) . . . . ?
O2 Pt1 N1 C1 -177.7(11) . . . . ?
O1 Pt1 N1 C1 5.3(4) . . . . ?
C7 Pt1 N1 C5 3.3(3) . . . . ?
O2 Pt1 N1 C5 0.1(15) . . . . ?
O1 Pt1 N1 C5 -177.0(3) . . . . ?
C7 Pt1 O1 C13 -171.4(14) . . . . ?
N1 Pt1 O1 C13 -174.5(3) . . . . ?
O2 Pt1 O1 C13 5.8(4) . . . . ?
C7 Pt1 O2 C15 175.6(3) . . . . ?
N1 Pt1 O2 C15 179(20) . . . . ?
O1 Pt1 O2 C15 -4.1(3) . . . . ?
C5 N1 C1 C2 -1.1(7) . . . . ?
Pt1 N1 C1 C2 176.5(3) . . . . ?
N1 C1 C2 C3 -3.5(7) . . . . ?
C1 C2 C3 C4 3.4(7) . . . . ?
C2 C3 C4 C5 1.0(6) . . . . ?
C1 N1 C5 C4 5.6(6) . . . . ?
Pt1 N1 C5 C4 -172.1(3) . . . . ?
C1 N1 C5 C6 -179.3(4) . . . . ?
Pt1 N1 C5 C6 2.9(5) . . . . ?
C3 C4 C5 N1 -5.6(6) . . . . ?
C3 C4 C5 C6 -179.9(4) . . . . ?
N1 C5 C6 C7 -10.4(5) . . . . ?
C4 C5 C6 C7 164.2(4) . . . . ?
N1 C5 C6 C11 179.3(4) . . . . ?
C4 C5 C6 C11 -6.1(7) . . . . ?
C11 C6 C7 C8 8.9(6) . . . . ?
C5 C6 C7 C8 -161.7(4) . . . . ?
C11 C6 C7 Pt1 -175.9(3) . . . . ?
C5 C6 C7 Pt1 13.5(5) . . . . ?
N1 Pt1 C7 C6 -9.5(3) . . . . ?
O2 Pt1 C7 C6 170.1(3) . . . . ?
O1 Pt1 C7 C6 -12.6(17) . . . . ?
N1 Pt1 C7 C8 165.3(4) . . . . ?
O2 Pt1 C7 C8 -15.1(4) . . . . ?
O1 Pt1 C7 C8 162.1(13) . . . . ?
C6 C7 C8 C9 4.6(7) . . . . ?
Pt1 C7 C8 C9 -170.1(4) . . . . ?
C7 C8 C9 C10 -8.4(7) . . . . ?
C8 C9 C10 C9 178.9(6) . . . 2_556 ?
C8 C9 C10 C11 -1.1(6) . . . . ?
C7 C6 C11 C6 162.2(5) . . . 2_556 ?
C5 C6 C11 C6 -28.4(3) . . . 2_556 ?
C7 C6 C11 C10 -17.8(5) . . . . ?
C5 C6 C11 C10 151.6(3) . . . . ?
C9 C10 C11 C6 13.7(3) 2_556 . . 2_556 ?
C9 C10 C11 C6 -166.3(3) . . . 2_556 ?
C9 C10 C11 C6 -166.3(3) 2_556 . . . ?
C9 C10 C11 C6 13.7(3) . . . . ?
Pt1 O1 C13 C14 -4.3(7) . . . . ?
Pt1 O1 C13 C12 175.4(3) . . . . ?
O1 C13 C14 C15 -1.0(8) . . . . ?
C12 C13 C14 C15 179.3(5) . . . . ?
Pt1 O2 C15 C14 0.8(7) . . . . ?
Pt1 O2 C15 C16 -178.7(3) . . . . ?
C13 C14 C15 O2 3.1(8) . . . . ?
C13 C14 C15 C16 -177.4(5) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.258
_refine_diff_density_min         -0.652
_refine_diff_density_rms         0.141


_database_code_depnum_ccdc_archive 'CCDC 883281'