# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                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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#  from this site to visualise CIF-encoded structures and 
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data_Compound_MeCl
#-----------------------------------------------------------------------------
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1991)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
#-----------------------------------------------------------------------------
_vrf_PUBL012_MeCl                
;
PROBLEM: _publ_section_abstract is missing.
RESPONSE: Will appear in the paper
;
# end Validation Reply Form

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C73 H83 Cl N2 Pt, 2(C7 H8)'
_chemical_formula_sum            'C87 H99 Cl N2 Pt'
_chemical_formula_weight         1403.22

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'
Cl Cl 0.1484 0.1585 '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'
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   'P 21'
_symmetry_space_group_name_Hall  'P 2yb'

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

_cell_length_a                   10.8012(2)
_cell_length_b                   18.7802(4)
_cell_length_c                   18.7036(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.8222(12)
_cell_angle_gamma                90.00
_cell_volume                     3699.39(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    14180
_cell_measurement_theta_min      1.0
_cell_measurement_theta_max      26.0

_exptl_crystal_description       Prism
_exptl_crystal_colour            'Dark brown'
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1460
_exptl_absorpt_coefficient_mu    1.978
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8578
_exptl_absorpt_correction_T_max  0.8740
_exptl_absorpt_process_details   'SORTAV: (Blessing, 1997)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(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  'Nonius APEX2 CCD'
_diffrn_measurement_method       ' \w and \f scans '
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27157
_diffrn_reflns_av_R_equivalents  0.1086
_diffrn_reflns_av_sigmaI/netI    0.1165
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.01
_diffrn_reflns_theta_max         26.04
_reflns_number_total             14483
_reflns_number_gt                11844
_reflns_threshold_expression     >2sigma(I)

_refine_special_details          
;

The structure cotains two molecules of toluene which showed large thermal

displacement parameters. The command SIMU in SHELX97 was used to constrain 

the thermal parameters (43 constrains). Moreover, the bond distances in

these molecules were not constrained which range between 1.30(4) - 1.48(4)

and 1.29(4) - 1.42(4) \%A in the two molecules of toluene. The methyl C73

shows smaller displacement parameters than the rest of the C-atoms 

suggesting a small degree of disorder in this atom as well.
 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^)+(0.0344P)^2^+25.3895P] 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   0.070(11)
_refine_ls_number_reflns         14483
_refine_ls_number_parameters     839
_refine_ls_number_restraints     43
_refine_ls_R_factor_all          0.0912
_refine_ls_R_factor_gt           0.0683
_refine_ls_wR_factor_ref         0.1642
_refine_ls_wR_factor_gt          0.1472
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.004
_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 -0.16650(3) 0.59945(3) 0.186913(18) 0.03001(10) Uani 1 1 d . . .
Cl1 Cl -0.3519(2) 0.6046(4) 0.10331(15) 0.0569(8) Uani 1 1 d . . .
N1 N -0.0736(7) 0.5311(4) 0.1248(4) 0.0237(17) Uani 1 1 d . . .
N2 N 0.0109(6) 0.5979(8) 0.2527(3) 0.0268(15) Uani 1 1 d . . .
C1 C 0.0483(9) 0.5281(5) 0.1532(5) 0.027(2) Uani 1 1 d . . .
C2 C 0.1566(9) 0.5032(5) 0.1267(5) 0.028(2) Uani 1 1 d . . .
C3 C 0.1795(12) 0.4759(7) 0.0623(7) 0.041(3) Uani 1 1 d . . .
H3 H 0.1097 0.4631 0.0239 0.049 Uiso 1 1 calc R . .
C4 C 0.3004(14) 0.4670(8) 0.0525(8) 0.041(4) Uani 1 1 d . . .
H4 H 0.3127 0.4479 0.0075 0.049 Uiso 1 1 calc R . .
C5 C 0.4066(11) 0.4854(6) 0.1075(8) 0.047(3) Uani 1 1 d . . .
H5 H 0.4898 0.4776 0.1003 0.057 Uiso 1 1 calc R . .
C6 C 0.3890(10) 0.5154(5) 0.1732(6) 0.031(2) Uani 1 1 d . . .
C7 C 0.4855(11) 0.5409(7) 0.2344(7) 0.048(3) Uani 1 1 d . . .
H7 H 0.5726 0.5356 0.2334 0.057 Uiso 1 1 calc R . .
C8 C 0.4534(10) 0.5724(6) 0.2930(6) 0.039(3) Uani 1 1 d . . .
H8 H 0.5197 0.5878 0.3323 0.047 Uiso 1 1 calc R . .
C9 C 0.3262(10) 0.5833(4) 0.2987(6) 0.034(3) Uani 1 1 d . . .
H9 H 0.3067 0.6064 0.3401 0.041 Uiso 1 1 calc R . .
C10 C 0.2319(9) 0.5591(5) 0.2416(5) 0.028(2) Uani 1 1 d . . .
C11 C 0.2661(10) 0.5250(5) 0.1813(6) 0.031(2) Uani 1 1 d . . .
C12 C 0.0931(9) 0.5642(5) 0.2243(5) 0.024(2) Uani 1 1 d . . .
C13 C -0.1218(8) 0.5005(5) 0.0543(5) 0.025(2) Uani 1 1 d . . .
C14 C -0.1595(9) 0.5457(5) -0.0039(5) 0.025(2) Uani 1 1 d . . .
H14 H -0.1578 0.5958 0.0040 0.031 Uiso 1 1 calc R . .
C15 C -0.1999(9) 0.5188(5) -0.0740(5) 0.025(2) Uani 1 1 d . . .
C16 C -0.2065(8) 0.4447(5) -0.0833(5) 0.024(2) Uani 1 1 d . . .
H16 H -0.2337 0.4258 -0.1314 0.029 Uiso 1 1 calc R . .
C17 C -0.1746(10) 0.3983(5) -0.0246(6) 0.022(2) Uani 1 1 d . . .
C18 C -0.1295(9) 0.4276(5) 0.0455(6) 0.026(2) Uani 1 1 d . . .
H18 H -0.1044 0.3972 0.0868 0.031 Uiso 1 1 calc R . .
C19 C -0.2404(10) 0.5689(5) -0.1381(5) 0.024(2) Uani 1 1 d . . .
C20 C -0.1488(9) 0.6069(9) -0.1660(5) 0.033(3) Uani 1 1 d . . .
C21 C -0.1906(10) 0.6500(6) -0.2272(6) 0.037(2) Uani 1 1 d . . .
H21 H -0.1301 0.6751 -0.2475 0.044 Uiso 1 1 calc R . .
C22 C -0.3170(14) 0.6571(6) -0.2586(6) 0.050(3) Uani 1 1 d . . .
H22 H -0.3431 0.6870 -0.3002 0.060 Uiso 1 1 calc R . .
C23 C -0.4060(12) 0.6216(6) -0.2308(6) 0.048(3) Uani 1 1 d . . .
H23 H -0.4934 0.6266 -0.2536 0.058 Uiso 1 1 calc R . .
C24 C -0.3696(10) 0.5776(5) -0.1687(6) 0.036(3) Uani 1 1 d . . .
C25 C -0.0074(9) 0.5969(10) -0.1318(5) 0.039(2) Uani 1 1 d . . .
H25 H -0.0002 0.5896 -0.0781 0.047 Uiso 1 1 calc R . .
C26 C 0.0500(17) 0.5342(10) -0.1584(10) 0.055(5) Uani 1 1 d . . .
H26A H 0.1401 0.5315 -0.1340 0.066 Uiso 1 1 calc R . .
H26B H 0.0417 0.5381 -0.2115 0.066 Uiso 1 1 calc R . .
H26C H 0.0065 0.4911 -0.1475 0.066 Uiso 1 1 calc R . .
C27 C 0.0698(17) 0.6674(10) -0.1401(9) 0.050(4) Uani 1 1 d . . .
H27A H 0.1590 0.6611 -0.1151 0.060 Uiso 1 1 calc R . .
H27B H 0.0338 0.7076 -0.1181 0.060 Uiso 1 1 calc R . .
H27C H 0.0643 0.6771 -0.1922 0.060 Uiso 1 1 calc R . .
C28 C -0.4706(12) 0.5436(7) -0.1333(7) 0.046(3) Uani 1 1 d . . .
H28 H -0.4243 0.5168 -0.0893 0.055 Uiso 1 1 calc R . .
C29 C -0.5502(12) 0.5988(14) -0.1065(8) 0.075(4) Uani 1 1 d . . .
H29A H -0.6078 0.5754 -0.0801 0.090 Uiso 1 1 calc R . .
H29B H -0.5998 0.6252 -0.1484 0.090 Uiso 1 1 calc R . .
H29C H -0.4948 0.6318 -0.0734 0.090 Uiso 1 1 calc R . .
C30 C -0.5530(15) 0.4907(8) -0.1828(8) 0.063(4) Uani 1 1 d . . .
H30A H -0.6108 0.4678 -0.1561 0.076 Uiso 1 1 calc R . .
H30B H -0.4994 0.4545 -0.1984 0.076 Uiso 1 1 calc R . .
H30C H -0.6026 0.5154 -0.2259 0.076 Uiso 1 1 calc R . .
C31 C -0.1915(9) 0.3201(5) -0.0373(5) 0.026(2) Uani 1 1 d . . .
C32 C -0.3081(9) 0.2893(5) -0.0362(5) 0.027(2) Uani 1 1 d . . .
C33 C -0.3266(13) 0.2159(7) -0.0511(9) 0.037(3) Uani 1 1 d . . .
H33 H -0.4071 0.1946 -0.0529 0.044 Uiso 1 1 calc R . .
C34 C -0.2266(10) 0.1753(6) -0.0633(6) 0.038(3) Uani 1 1 d . . .
H34 H -0.2372 0.1256 -0.0726 0.046 Uiso 1 1 calc R . .
C35 C -0.1113(11) 0.2074(6) -0.0619(6) 0.033(2) Uani 1 1 d . . .
H35 H -0.0435 0.1785 -0.0699 0.040 Uiso 1 1 calc R . .
C36 C -0.0891(10) 0.2780(5) -0.0497(5) 0.030(2) Uani 1 1 d . . .
C37 C -0.4222(12) 0.3306(6) -0.0217(7) 0.046(3) Uani 1 1 d . . .
H37 H -0.4026 0.3824 -0.0251 0.055 Uiso 1 1 calc R . .
C38 C -0.4340(19) 0.3170(10) 0.0558(9) 0.084(6) Uani 1 1 d . . .
H38A H -0.4996 0.3480 0.0675 0.101 Uiso 1 1 calc R . .
H38B H -0.3525 0.3268 0.0896 0.101 Uiso 1 1 calc R . .
H38C H -0.4574 0.2671 0.0607 0.101 Uiso 1 1 calc R . .
C39 C -0.5445(11) 0.3165(9) -0.0773(8) 0.060(4) Uani 1 1 d . . .
H39A H -0.6053 0.3547 -0.0751 0.072 Uiso 1 1 calc R . .
H39B H -0.5802 0.2708 -0.0662 0.072 Uiso 1 1 calc R . .
H39C H -0.5273 0.3146 -0.1265 0.072 Uiso 1 1 calc R . .
C40 C 0.0389(9) 0.3118(5) -0.0498(6) 0.034(2) Uani 1 1 d . . .
H40 H 0.0365 0.3617 -0.0313 0.040 Uiso 1 1 calc R . .
C41 C 0.0644(13) 0.3163(9) -0.1257(8) 0.067(4) Uani 1 1 d . . .
H41A H 0.1385 0.3467 -0.1247 0.081 Uiso 1 1 calc R . .
H41B H -0.0098 0.3366 -0.1595 0.081 Uiso 1 1 calc R . .
H41C H 0.0810 0.2684 -0.1424 0.081 Uiso 1 1 calc R . .
C42 C 0.1502(13) 0.2737(8) 0.0012(10) 0.060(5) Uani 1 1 d . . .
H42A H 0.2268 0.3031 0.0072 0.072 Uiso 1 1 calc R . .
H42B H 0.1649 0.2277 -0.0202 0.072 Uiso 1 1 calc R . .
H42C H 0.1298 0.2661 0.0491 0.072 Uiso 1 1 calc R . .
C43 C 0.0568(9) 0.6415(5) 0.3155(5) 0.027(2) Uani 1 1 d . . .
C44 C 0.0880(9) 0.7111(5) 0.3048(5) 0.028(2) Uani 1 1 d . . .
H44 H 0.0768 0.7293 0.2564 0.034 Uiso 1 1 calc R . .
C45 C 0.1353(9) 0.7546(5) 0.3637(6) 0.025(2) Uani 1 1 d . . .
C46 C 0.1497(9) 0.7272(5) 0.4335(5) 0.025(2) Uani 1 1 d . . .
H46 H 0.1827 0.7566 0.4746 0.030 Uiso 1 1 calc R . .
C47 C 0.1167(9) 0.6576(6) 0.4443(5) 0.029(2) Uani 1 1 d . . .
C48 C 0.0700(8) 0.6137(5) 0.3860(5) 0.026(2) Uani 1 1 d . . .
H48 H 0.0474 0.5658 0.3933 0.032 Uiso 1 1 calc R . .
C49 C 0.1694(11) 0.8318(6) 0.3521(5) 0.030(2) Uani 1 1 d . . .
C50 C 0.2875(12) 0.8470(7) 0.3336(7) 0.040(3) Uani 1 1 d . . .
C51 C 0.3155(12) 0.9173(6) 0.3225(6) 0.044(3) Uani 1 1 d . . .
H51 H 0.3938 0.9289 0.3102 0.052 Uiso 1 1 calc R . .
C52 C 0.2315(13) 0.9712(6) 0.3290(8) 0.056(4) Uani 1 1 d . . .
H52 H 0.2529 1.0193 0.3217 0.067 Uiso 1 1 calc R . .
C53 C 0.1154(13) 0.9554(6) 0.3463(7) 0.050(3) Uani 1 1 d . . .
H53 H 0.0575 0.9926 0.3498 0.060 Uiso 1 1 calc R . .
C54 C 0.0843(11) 0.8853(6) 0.3584(6) 0.036(2) Uani 1 1 d . . .
C55 C 0.3813(11) 0.7890(7) 0.3250(8) 0.043(3) Uani 1 1 d . . .
H55 H 0.3489 0.7435 0.3417 0.052 Uiso 1 1 calc R . .
C56 C 0.3880(16) 0.7787(8) 0.2462(8) 0.065(4) Uani 1 1 d . . .
H56A H 0.4385 0.7362 0.2420 0.078 Uiso 1 1 calc R . .
H56B H 0.4276 0.8204 0.2292 0.078 Uiso 1 1 calc R . .
H56C H 0.3020 0.7726 0.2161 0.078 Uiso 1 1 calc R . .
C57 C 0.5106(13) 0.8019(10) 0.3734(11) 0.086(6) Uani 1 1 d . . .
H57A H 0.5672 0.7625 0.3678 0.103 Uiso 1 1 calc R . .
H57B H 0.5034 0.8049 0.4246 0.103 Uiso 1 1 calc R . .
H57C H 0.5452 0.8466 0.3592 0.103 Uiso 1 1 calc R . .
C58 C -0.0440(13) 0.8694(6) 0.3755(7) 0.050(3) Uani 1 1 d . . .
H58 H -0.0480 0.8174 0.3865 0.060 Uiso 1 1 calc R . .
C59 C -0.1533(13) 0.8875(9) 0.3101(9) 0.069(4) Uani 1 1 d . . .
H59A H -0.2298 0.8988 0.3280 0.083 Uiso 1 1 calc R . .
H59B H -0.1702 0.8466 0.2769 0.083 Uiso 1 1 calc R . .
H59C H -0.1296 0.9287 0.2839 0.083 Uiso 1 1 calc R . .
C60 C -0.0603(17) 0.9122(10) 0.4440(8) 0.075(5) Uani 1 1 d . . .
H60A H -0.1386 0.8973 0.4580 0.091 Uiso 1 1 calc R . .
H60B H -0.0650 0.9632 0.4325 0.091 Uiso 1 1 calc R . .
H60C H 0.0124 0.9032 0.4848 0.091 Uiso 1 1 calc R . .
C61 C 0.1357(10) 0.6329(5) 0.5228(5) 0.030(2) Uani 1 1 d . . .
C62 C 0.0427(11) 0.6470(6) 0.5624(5) 0.035(2) Uani 1 1 d . . .
C63 C 0.0680(14) 0.6270(6) 0.6371(6) 0.050(3) Uani 1 1 d . . .
H63 H 0.0061 0.6356 0.6651 0.060 Uiso 1 1 calc R . .
C64 C 0.1807(12) 0.5955(13) 0.6697(5) 0.061(4) Uani 1 1 d . . .
H64 H 0.1976 0.5846 0.7205 0.073 Uiso 1 1 calc R . .
C65 C 0.2677(12) 0.5797(7) 0.6306(6) 0.056(5) Uani 1 1 d . . .
H65 H 0.3438 0.5564 0.6544 0.067 Uiso 1 1 calc R . .
C66 C 0.2499(9) 0.5964(12) 0.5571(5) 0.044(3) Uani 1 1 d . . .
C67 C -0.0831(13) 0.6808(6) 0.5262(7) 0.046(3) Uani 1 1 d . . .
H67 H -0.0781 0.6958 0.4756 0.056 Uiso 1 1 calc R . .
C68 C -0.1887(15) 0.6313(12) 0.5200(17) 0.156(13) Uani 1 1 d . . .
H68A H -0.2664 0.6534 0.4917 0.187 Uiso 1 1 calc R . .
H68B H -0.2001 0.6192 0.5691 0.187 Uiso 1 1 calc R . .
H68C H -0.1706 0.5879 0.4950 0.187 Uiso 1 1 calc R . .
C69 C -0.115(3) 0.7461(12) 0.5665(12) 0.137(11) Uani 1 1 d . . .
H69A H -0.1335 0.7862 0.5323 0.164 Uiso 1 1 calc R . .
H69B H -0.0420 0.7581 0.6062 0.164 Uiso 1 1 calc R . .
H69C H -0.1888 0.7360 0.5870 0.164 Uiso 1 1 calc R . .
C70 C 0.3539(11) 0.5802(7) 0.5144(6) 0.054(4) Uani 1 1 d . . .
H70 H 0.3118 0.5750 0.4614 0.065 Uiso 1 1 calc R . .
C71 C 0.424(2) 0.5120(14) 0.5389(12) 0.100(8) Uani 1 1 d . . .
H71A H 0.4791 0.5001 0.5052 0.120 Uiso 1 1 calc R . .
H71B H 0.3633 0.4734 0.5389 0.120 Uiso 1 1 calc R . .
H71C H 0.4766 0.5181 0.5885 0.120 Uiso 1 1 calc R . .
C72 C 0.4439(16) 0.6455(12) 0.5223(12) 0.094(7) Uani 1 1 d . . .
H72A H 0.4969 0.6422 0.4861 0.113 Uiso 1 1 calc R . .
H72B H 0.4982 0.6463 0.5718 0.113 Uiso 1 1 calc R . .
H72C H 0.3934 0.6893 0.5139 0.113 Uiso 1 1 calc R . .
C73 C -0.2449(8) 0.6673(5) 0.2558(5) 0.0224(19) Uani 1 1 d . . .
H73A H -0.2071 0.6563 0.3072 0.027 Uiso 1 1 calc R . .
H73B H -0.3370 0.6601 0.2464 0.027 Uiso 1 1 calc R . .
H73C H -0.2269 0.7170 0.2457 0.027 Uiso 1 1 calc R . .
C74 C 0.737(3) 0.3431(19) 0.3182(18) 0.144(9) Uani 1 1 d U . .
C75 C 0.757(2) 0.4131(17) 0.3026(18) 0.137(9) Uani 1 1 d U . .
H75 H 0.7713 0.4271 0.2561 0.164 Uiso 1 1 calc R . .
C76 C 0.757(2) 0.4657(16) 0.361(2) 0.138(9) Uani 1 1 d U . .
H76 H 0.7815 0.5136 0.3555 0.166 Uiso 1 1 calc R . .
C77 C 0.721(2) 0.4450(16) 0.4261(17) 0.127(8) Uani 1 1 d U . .
H77 H 0.7158 0.4793 0.4627 0.152 Uiso 1 1 calc R . .
C78 C 0.693(2) 0.3779(15) 0.4354(17) 0.125(8) Uani 1 1 d U . .
H78 H 0.6650 0.3633 0.4778 0.149 Uiso 1 1 calc R . .
C79 C 0.708(3) 0.3263(17) 0.3795(16) 0.139(9) Uani 1 1 d U . .
H79 H 0.6944 0.2774 0.3887 0.167 Uiso 1 1 calc R . .
C80 C 0.745(3) 0.2964(19) 0.2617(16) 0.182(15) Uani 1 1 d U . .
H80A H 0.7476 0.3235 0.2174 0.273 Uiso 1 1 calc R . .
H80B H 0.6701 0.2651 0.2520 0.273 Uiso 1 1 calc R . .
H80C H 0.8218 0.2675 0.2760 0.273 Uiso 1 1 calc R . .
C81 C 0.289(5) 0.3570(12) 0.258(2) 0.135(11) Uani 1 1 d . . .
C82 C 0.162(4) 0.3483(14) 0.2246(18) 0.135(11) Uani 1 1 d . . .
H82 H 0.1333 0.3271 0.1777 0.162 Uiso 1 1 calc R . .
C83 C 0.089(3) 0.3714(11) 0.263(2) 0.115(9) Uani 1 1 d . . .
H83 H 0.0012 0.3643 0.2419 0.138 Uiso 1 1 calc R . .
C84 C 0.113(3) 0.4053(13) 0.3301(19) 0.111(9) Uani 1 1 d . . .
H84 H 0.0489 0.4244 0.3520 0.133 Uiso 1 1 calc R . .
C85 C 0.233(4) 0.4081(13) 0.359(2) 0.158(14) Uani 1 1 d . . .
H85 H 0.2550 0.4263 0.4080 0.190 Uiso 1 1 calc R . .
C86 C 0.334(3) 0.3872(15) 0.328(2) 0.136(14) Uani 1 1 d . . .
H86 H 0.4217 0.3928 0.3512 0.163 Uiso 1 1 calc R . .
C87 C 0.371(5) 0.3277(14) 0.211(2) 0.24(2) Uani 1 1 d . . .
H87A H 0.3792 0.2761 0.2177 0.364 Uiso 1 1 calc R . .
H87B H 0.4555 0.3497 0.2242 0.364 Uiso 1 1 calc R . .
H87C H 0.3330 0.3381 0.1592 0.364 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 0.02716(16) 0.03282(17) 0.02887(16) -0.0039(3) 0.00367(11) -0.0006(3)
Cl1 0.0370(12) 0.077(2) 0.0522(14) -0.005(3) 0.0000(10) 0.005(3)
N1 0.027(4) 0.020(4) 0.023(4) -0.004(3) 0.005(3) 0.002(3)
N2 0.027(3) 0.026(3) 0.026(3) -0.002(7) 0.001(3) -0.019(7)
C1 0.032(5) 0.022(5) 0.028(5) -0.003(4) 0.008(4) 0.001(4)
C2 0.029(5) 0.020(4) 0.033(5) 0.011(4) 0.004(4) -0.003(4)
C3 0.026(6) 0.043(7) 0.052(7) -0.014(6) 0.002(5) -0.009(6)
C4 0.034(7) 0.053(9) 0.040(7) -0.014(6) 0.018(6) -0.016(6)
C5 0.031(6) 0.040(6) 0.076(9) -0.027(6) 0.022(6) -0.001(5)
C6 0.027(5) 0.024(5) 0.041(6) -0.001(4) 0.005(4) 0.003(4)
C7 0.023(6) 0.049(7) 0.063(8) 0.007(6) -0.006(5) -0.009(5)
C8 0.029(5) 0.041(6) 0.044(6) -0.002(5) -0.003(5) 0.004(4)
C9 0.038(5) 0.018(7) 0.043(5) 0.009(4) 0.003(4) 0.008(4)
C10 0.027(5) 0.023(5) 0.029(5) 0.001(4) -0.004(4) 0.000(4)
C11 0.036(6) 0.017(4) 0.036(6) -0.002(4) -0.002(4) -0.007(4)
C12 0.028(5) 0.027(5) 0.016(4) 0.009(4) -0.001(4) 0.001(4)
C13 0.014(4) 0.031(5) 0.028(5) 0.003(4) -0.001(4) -0.005(4)
C14 0.026(5) 0.021(4) 0.028(5) -0.002(4) 0.004(4) 0.000(4)
C15 0.026(5) 0.021(5) 0.030(5) 0.000(4) 0.008(4) 0.000(4)
C16 0.016(4) 0.023(5) 0.034(5) -0.008(4) 0.004(4) 0.002(4)
C17 0.023(5) 0.013(5) 0.031(6) 0.001(4) 0.005(4) -0.011(4)
C18 0.022(5) 0.030(5) 0.020(5) 0.002(4) -0.006(4) 0.005(4)
C19 0.044(6) 0.018(4) 0.013(4) -0.005(3) 0.010(4) -0.003(4)
C20 0.044(5) 0.030(7) 0.024(4) -0.013(6) 0.005(4) -0.007(6)
C21 0.032(6) 0.041(6) 0.037(6) 0.004(5) 0.010(5) 0.006(5)
C22 0.081(10) 0.037(6) 0.031(6) 0.016(5) 0.009(6) 0.010(6)
C23 0.053(7) 0.054(9) 0.033(6) 0.006(5) 0.000(5) 0.009(5)
C24 0.035(5) 0.030(6) 0.043(6) -0.004(4) 0.007(5) 0.005(4)
C25 0.049(5) 0.043(6) 0.025(4) 0.018(8) 0.006(4) -0.021(9)
C26 0.046(9) 0.045(9) 0.073(12) 0.011(8) 0.011(8) 0.010(7)
C27 0.056(10) 0.063(10) 0.035(7) -0.004(7) 0.020(7) -0.005(8)
C28 0.042(7) 0.045(7) 0.047(7) 0.005(6) 0.001(6) 0.003(6)
C29 0.067(8) 0.073(8) 0.096(9) -0.009(15) 0.040(7) -0.038(13)
C30 0.067(9) 0.054(8) 0.068(9) -0.001(7) 0.012(7) -0.022(7)
C31 0.029(5) 0.026(5) 0.020(5) -0.001(4) 0.002(4) 0.003(4)
C32 0.026(5) 0.028(5) 0.027(5) -0.009(4) 0.002(4) -0.003(4)
C33 0.026(7) 0.019(6) 0.065(9) -0.001(5) 0.006(6) -0.005(5)
C34 0.036(6) 0.023(5) 0.049(7) -0.004(5) -0.007(5) 0.001(5)
C35 0.028(6) 0.024(5) 0.044(7) -0.008(5) 0.003(5) -0.005(5)
C36 0.036(6) 0.028(5) 0.026(5) 0.004(4) 0.003(4) 0.002(4)
C37 0.048(7) 0.027(6) 0.066(8) -0.013(6) 0.023(6) -0.014(5)
C38 0.111(14) 0.090(12) 0.065(10) -0.015(9) 0.050(10) 0.035(11)
C39 0.025(6) 0.080(10) 0.076(10) -0.009(8) 0.012(6) 0.009(7)
C40 0.029(5) 0.028(5) 0.041(6) -0.022(5) 0.000(5) -0.001(4)
C41 0.042(8) 0.088(11) 0.069(10) 0.019(8) 0.004(7) -0.013(8)
C42 0.027(7) 0.051(9) 0.089(13) 0.017(9) -0.012(8) -0.001(7)
C43 0.025(5) 0.028(5) 0.028(5) -0.007(4) 0.002(4) 0.004(4)
C44 0.024(5) 0.031(5) 0.027(5) 0.002(4) 0.002(4) 0.005(4)
C45 0.027(5) 0.017(5) 0.031(5) 0.000(4) 0.003(4) -0.001(4)
C46 0.028(5) 0.025(5) 0.023(5) -0.004(4) 0.005(4) -0.003(4)
C47 0.023(5) 0.038(6) 0.027(5) 0.005(4) 0.006(4) 0.002(4)
C48 0.030(4) 0.020(7) 0.029(4) -0.003(4) 0.006(4) 0.000(4)
C49 0.040(6) 0.027(5) 0.020(5) 0.001(4) 0.001(4) -0.008(5)
C50 0.036(7) 0.038(6) 0.042(7) -0.002(5) 0.004(5) -0.008(5)
C51 0.044(7) 0.034(6) 0.044(7) 0.012(5) -0.008(5) -0.007(5)
C52 0.064(9) 0.023(6) 0.072(9) 0.016(6) -0.001(7) -0.011(6)
C53 0.058(8) 0.027(6) 0.066(9) -0.004(6) 0.014(7) 0.005(6)
C54 0.046(6) 0.035(6) 0.027(5) -0.007(4) 0.009(5) -0.002(5)
C55 0.026(6) 0.043(8) 0.062(8) 0.009(6) 0.016(6) -0.008(5)
C56 0.081(11) 0.058(9) 0.065(9) 0.012(7) 0.037(8) 0.013(8)
C57 0.031(7) 0.076(11) 0.139(16) -0.009(11) -0.004(9) 0.005(7)
C58 0.063(8) 0.027(6) 0.065(8) -0.001(6) 0.029(7) 0.001(6)
C59 0.040(8) 0.084(11) 0.087(11) -0.026(9) 0.021(8) -0.015(8)
C60 0.082(11) 0.084(11) 0.062(10) -0.004(8) 0.021(8) 0.035(9)
C61 0.034(6) 0.026(5) 0.026(5) -0.003(4) 0.000(4) -0.013(4)
C62 0.045(6) 0.040(6) 0.023(5) -0.007(4) 0.013(5) -0.009(5)
C63 0.088(10) 0.039(6) 0.035(6) -0.009(5) 0.036(7) -0.028(6)
C64 0.070(8) 0.080(9) 0.028(5) 0.035(10) 0.003(5) -0.017(12)
C65 0.051(7) 0.083(13) 0.023(5) 0.013(6) -0.014(5) -0.015(7)
C66 0.045(5) 0.054(6) 0.030(4) -0.009(9) 0.006(4) -0.028(10)
C67 0.065(8) 0.045(7) 0.036(6) 0.002(5) 0.027(6) 0.011(6)
C68 0.038(9) 0.099(15) 0.30(4) 0.074(19) -0.030(14) -0.017(9)
C69 0.18(3) 0.111(17) 0.101(16) -0.024(13) 0.000(16) 0.100(18)
C70 0.039(6) 0.081(13) 0.038(6) 0.019(6) 0.000(5) 0.015(6)
C71 0.086(15) 0.14(2) 0.076(13) 0.036(14) 0.023(11) 0.046(15)
C72 0.038(9) 0.134(18) 0.114(17) 0.040(14) 0.028(10) -0.022(11)
C73 0.020(5) 0.020(4) 0.025(5) -0.013(4) 0.000(4) 0.003(4)
C74 0.127(17) 0.15(2) 0.127(19) 0.041(17) -0.023(16) 0.025(17)
C75 0.077(13) 0.139(19) 0.17(2) 0.053(17) -0.016(14) 0.045(14)
C76 0.084(14) 0.120(17) 0.19(2) 0.072(17) -0.003(16) 0.007(14)
C77 0.087(14) 0.121(17) 0.149(19) -0.005(16) -0.024(14) 0.006(14)
C78 0.095(14) 0.113(17) 0.142(18) 0.020(15) -0.024(14) -0.001(14)
C79 0.125(17) 0.14(2) 0.123(19) 0.042(16) -0.028(16) 0.029(16)
C80 0.16(3) 0.21(3) 0.14(2) -0.07(2) -0.038(19) 0.10(2)
C81 0.21(4) 0.037(11) 0.17(3) 0.053(15) 0.08(3) 0.000(17)
C82 0.19(3) 0.069(16) 0.14(3) 0.048(16) 0.03(3) -0.03(2)
C83 0.14(2) 0.050(12) 0.17(3) 0.029(15) 0.07(2) 0.007(13)
C84 0.14(2) 0.067(15) 0.15(3) 0.047(17) 0.08(2) 0.023(16)
C85 0.15(3) 0.067(15) 0.23(4) 0.073(19) -0.02(3) 0.01(2)
C86 0.073(18) 0.065(16) 0.25(4) 0.07(2) 0.00(2) 0.003(14)
C87 0.47(7) 0.071(16) 0.25(4) 0.08(2) 0.22(5) 0.03(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
Pt1 N2 2.035(6) . ?
Pt1 C73 2.119(8) . ?
Pt1 N1 2.126(7) . ?
Pt1 Cl1 2.253(3) . ?
N1 C1 1.306(13) . ?
N1 C13 1.427(12) . ?
N2 C12 1.296(14) . ?
N2 C43 1.428(13) . ?
C1 C2 1.446(14) . ?
C1 C12 1.476(13) . ?
C2 C3 1.380(16) . ?
C2 C11 1.440(14) . ?
C3 C4 1.368(19) . ?
C3 H3 0.9500 . ?
C4 C5 1.404(19) . ?
C4 H4 0.9500 . ?
C5 C6 1.402(15) . ?
C5 H5 0.9500 . ?
C6 C11 1.381(14) . ?
C6 C7 1.448(15) . ?
C7 C8 1.357(17) . ?
C7 H7 0.9500 . ?
C8 C9 1.417(15) . ?
C8 H8 0.9500 . ?
C9 C10 1.380(14) . ?
C9 H9 0.9500 . ?
C10 C11 1.415(14) . ?
C10 C12 1.465(13) . ?
C13 C14 1.370(13) . ?
C13 C18 1.379(14) . ?
C14 C15 1.383(13) . ?
C14 H14 0.9500 . ?
C15 C16 1.402(13) . ?
C15 C19 1.511(13) . ?
C16 C17 1.384(14) . ?
C16 H16 0.9500 . ?
C17 C18 1.405(14) . ?
C17 C31 1.493(13) . ?
C18 H18 0.9500 . ?
C19 C24 1.396(15) . ?
C19 C20 1.411(15) . ?
C20 C21 1.393(17) . ?
C20 C25 1.531(14) . ?
C21 C22 1.368(17) . ?
C21 H21 0.9500 . ?
C22 C23 1.364(17) . ?
C22 H22 0.9500 . ?
C23 C24 1.408(14) . ?
C23 H23 0.9500 . ?
C24 C28 1.535(16) . ?
C25 C26 1.47(2) . ?
C25 C27 1.59(2) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.50(2) . ?
C28 C30 1.507(18) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.390(14) . ?
C31 C36 1.421(14) . ?
C32 C33 1.412(16) . ?
C32 C37 1.531(15) . ?
C33 C34 1.382(18) . ?
C33 H33 0.9500 . ?
C34 C35 1.379(15) . ?
C34 H34 0.9500 . ?
C35 C36 1.357(15) . ?
C35 H35 0.9500 . ?
C36 C40 1.522(15) . ?
C37 C38 1.504(19) . ?
C37 C39 1.513(18) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.508(17) . ?
C40 C42 1.536(17) . ?
C40 H40 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.375(14) . ?
C43 C48 1.396(13) . ?
C44 C45 1.376(14) . ?
C44 H44 0.9500 . ?
C45 C46 1.379(14) . ?
C45 C49 1.523(14) . ?
C46 C47 1.382(14) . ?
C46 H46 0.9500 . ?
C47 C48 1.371(13) . ?
C47 C61 1.510(13) . ?
C48 H48 0.9500 . ?
C49 C54 1.385(16) . ?
C49 C50 1.423(16) . ?
C50 C51 1.380(16) . ?
C50 C55 1.520(18) . ?
C51 C52 1.382(18) . ?
C51 H51 0.9500 . ?
C52 C53 1.394(19) . ?
C52 H52 0.9500 . ?
C53 C54 1.388(16) . ?
C53 H53 0.9500 . ?
C54 C58 1.520(17) . ?
C55 C56 1.504(19) . ?
C55 C57 1.50(2) . ?
C55 H55 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C59 1.54(2) . ?
C58 C60 1.555(18) . ?
C58 H58 1.0000 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.399(15) . ?
C61 C66 1.432(18) . ?
C62 C63 1.415(15) . ?
C62 C67 1.516(17) . ?
C63 C64 1.37(2) . ?
C63 H63 0.9500 . ?
C64 C65 1.345(18) . ?
C64 H64 0.9500 . ?
C65 C66 1.382(14) . ?
C65 H65 0.9500 . ?
C66 C70 1.546(16) . ?
C67 C68 1.46(2) . ?
C67 C69 1.52(2) . ?
C67 H67 1.0000 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C71 1.51(2) . ?
C70 C72 1.55(2) . ?
C70 H70 1.0000 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 C79 1.30(4) . ?
C74 C75 1.38(4) . ?
C74 C80 1.39(4) . ?
C75 C76 1.48(4) . ?
C75 H75 0.9500 . ?
C76 C77 1.41(4) . ?
C76 H76 0.9500 . ?
C77 C78 1.32(3) . ?
C77 H77 0.9500 . ?
C78 C79 1.46(4) . ?
C78 H78 0.9500 . ?
C79 H79 0.9500 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.39(4) . ?
C81 C86 1.42(4) . ?
C81 C87 1.49(4) . ?
C82 C83 1.26(4) . ?
C82 H82 0.9500 . ?
C83 C84 1.38(4) . ?
C83 H83 0.9500 . ?
C84 C85 1.29(4) . ?
C84 H84 0.9500 . ?
C85 C86 1.41(5) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 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
N2 Pt1 C73 95.2(4) . . ?
N2 Pt1 N1 80.0(4) . . ?
C73 Pt1 N1 175.2(3) . . ?
N2 Pt1 Cl1 173.3(2) . . ?
C73 Pt1 Cl1 89.0(3) . . ?
N1 Pt1 Cl1 95.8(2) . . ?
C1 N1 C13 119.1(8) . . ?
C1 N1 Pt1 111.1(6) . . ?
C13 N1 Pt1 128.9(6) . . ?
C12 N2 C43 118.2(7) . . ?
C12 N2 Pt1 113.5(6) . . ?
C43 N2 Pt1 126.6(8) . . ?
N1 C1 C2 133.9(9) . . ?
N1 C1 C12 116.4(8) . . ?
C2 C1 C12 109.2(8) . . ?
C3 C2 C11 116.5(10) . . ?
C3 C2 C1 137.3(10) . . ?
C11 C2 C1 105.3(9) . . ?
C4 C3 C2 121.6(12) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C3 C4 C5 121.3(13) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C6 C5 C4 119.6(11) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C11 C6 C5 118.0(10) . . ?
C11 C6 C7 114.2(10) . . ?
C5 C6 C7 127.7(10) . . ?
C8 C7 C6 121.0(11) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C9 123.4(10) . . ?
C7 C8 H8 118.3 . . ?
C9 C8 H8 118.3 . . ?
C10 C9 C8 117.1(10) . . ?
C10 C9 H9 121.5 . . ?
C8 C9 H9 121.5 . . ?
C9 C10 C11 119.2(9) . . ?
C9 C10 C12 133.9(9) . . ?
C11 C10 C12 106.8(8) . . ?
C6 C11 C10 125.0(9) . . ?
C6 C11 C2 122.9(10) . . ?
C10 C11 C2 112.0(9) . . ?
N2 C12 C10 134.6(9) . . ?
N2 C12 C1 118.4(8) . . ?
C10 C12 C1 106.5(8) . . ?
C14 C13 C18 121.4(9) . . ?
C14 C13 N1 117.9(8) . . ?
C18 C13 N1 120.7(9) . . ?
C13 C14 C15 120.1(9) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C14 C15 C16 118.6(9) . . ?
C14 C15 C19 119.9(8) . . ?
C16 C15 C19 121.5(8) . . ?
C17 C16 C15 121.9(9) . . ?
C17 C16 H16 119.1 . . ?
C15 C16 H16 119.1 . . ?
C16 C17 C18 117.9(9) . . ?
C16 C17 C31 119.4(9) . . ?
C18 C17 C31 122.6(9) . . ?
C13 C18 C17 119.9(9) . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C24 C19 C20 120.5(9) . . ?
C24 C19 C15 119.0(9) . . ?
C20 C19 C15 120.5(9) . . ?
C21 C20 C19 118.2(9) . . ?
C21 C20 C25 121.8(10) . . ?
C19 C20 C25 119.9(11) . . ?
C22 C21 C20 121.3(10) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C23 C22 C21 120.6(11) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 120.6(12) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C19 C24 C23 118.6(10) . . ?
C19 C24 C28 121.1(9) . . ?
C23 C24 C28 120.3(10) . . ?
C26 C25 C20 114.4(13) . . ?
C26 C25 C27 111.4(8) . . ?
C20 C25 C27 110.7(14) . . ?
C26 C25 H25 106.6 . . ?
C20 C25 H25 106.6 . . ?
C27 C25 H25 106.6 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 C30 110.9(11) . . ?
C29 C28 C24 111.9(11) . . ?
C30 C28 C24 112.9(11) . . ?
C29 C28 H28 106.9 . . ?
C30 C28 H28 106.9 . . ?
C24 C28 H28 106.9 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C36 120.7(9) . . ?
C32 C31 C17 119.1(9) . . ?
C36 C31 C17 120.2(9) . . ?
C31 C32 C33 119.5(10) . . ?
C31 C32 C37 124.0(9) . . ?
C33 C32 C37 116.5(10) . . ?
C34 C33 C32 119.3(11) . . ?
C34 C33 H33 120.3 . . ?
C32 C33 H33 120.3 . . ?
C35 C34 C33 119.4(11) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C36 C35 C34 123.8(11) . . ?
C36 C35 H35 118.1 . . ?
C34 C35 H35 118.1 . . ?
C35 C36 C31 117.1(10) . . ?
C35 C36 C40 122.4(10) . . ?
C31 C36 C40 120.5(9) . . ?
C38 C37 C39 112.6(12) . . ?
C38 C37 C32 109.1(12) . . ?
C39 C37 C32 113.8(10) . . ?
C38 C37 H37 107.0 . . ?
C39 C37 H37 107.0 . . ?
C32 C37 H37 107.0 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C36 112.3(9) . . ?
C41 C40 C42 109.2(11) . . ?
C36 C40 C42 113.0(10) . . ?
C41 C40 H40 107.3 . . ?
C36 C40 H40 107.3 . . ?
C42 C40 H40 107.3 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C48 121.0(9) . . ?
C44 C43 N2 118.6(10) . . ?
C48 C43 N2 120.4(9) . . ?
C43 C44 C45 120.5(9) . . ?
C43 C44 H44 119.7 . . ?
C45 C44 H44 119.7 . . ?
C44 C45 C46 118.6(9) . . ?
C44 C45 C49 120.6(9) . . ?
C46 C45 C49 120.7(9) . . ?
C45 C46 C47 120.9(9) . . ?
C45 C46 H46 119.5 . . ?
C47 C46 H46 119.5 . . ?
C48 C47 C46 120.8(9) . . ?
C48 C47 C61 122.5(9) . . ?
C46 C47 C61 116.7(9) . . ?
C47 C48 C43 118.1(8) . . ?
C47 C48 H48 121.0 . . ?
C43 C48 H48 121.0 . . ?
C54 C49 C50 121.5(10) . . ?
C54 C49 C45 119.5(10) . . ?
C50 C49 C45 119.0(10) . . ?
C51 C50 C49 117.8(12) . . ?
C51 C50 C55 119.7(11) . . ?
C49 C50 C55 122.4(10) . . ?
C50 C51 C52 121.1(12) . . ?
C50 C51 H51 119.4 . . ?
C52 C51 H51 119.4 . . ?
C51 C52 C53 120.4(11) . . ?
C51 C52 H52 119.8 . . ?
C53 C52 H52 119.8 . . ?
C54 C53 C52 120.2(11) . . ?
C54 C53 H53 119.9 . . ?
C52 C53 H53 119.9 . . ?
C49 C54 C53 119.0(11) . . ?
C49 C54 C58 121.9(10) . . ?
C53 C54 C58 119.0(11) . . ?
C56 C55 C57 111.7(12) . . ?
C56 C55 C50 112.0(11) . . ?
C57 C55 C50 111.9(12) . . ?
C56 C55 H55 106.9 . . ?
C57 C55 H55 106.9 . . ?
C50 C55 H55 106.9 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C54 C58 C59 111.4(11) . . ?
C54 C58 C60 110.3(12) . . ?
C59 C58 C60 109.5(11) . . ?
C54 C58 H58 108.5 . . ?
C59 C58 H58 108.5 . . ?
C60 C58 H58 108.5 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 C66 120.2(9) . . ?
C62 C61 C47 119.8(9) . . ?
C66 C61 C47 120.0(9) . . ?
C61 C62 C63 117.9(11) . . ?
C61 C62 C67 121.4(9) . . ?
C63 C62 C67 120.7(10) . . ?
C64 C63 C62 120.9(11) . . ?
C64 C63 H63 119.6 . . ?
C62 C63 H63 119.6 . . ?
C65 C64 C63 120.8(10) . . ?
C65 C64 H64 119.6 . . ?
C63 C64 H64 119.6 . . ?
C64 C65 C66 122.1(12) . . ?
C64 C65 H65 118.9 . . ?
C66 C65 H65 118.9 . . ?
C65 C66 C61 118.0(11) . . ?
C65 C66 C70 120.9(12) . . ?
C61 C66 C70 121.1(9) . . ?
C68 C67 C62 112.1(12) . . ?
C68 C67 C69 107.3(17) . . ?
C62 C67 C69 113.2(13) . . ?
C68 C67 H67 108.0 . . ?
C62 C67 H67 108.0 . . ?
C69 C67 H67 108.0 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C71 C70 C66 112.7(14) . . ?
C71 C70 C72 112.3(14) . . ?
C66 C70 C72 107.9(14) . . ?
C71 C70 H70 107.9 . . ?
C66 C70 H70 107.9 . . ?
C72 C70 H70 107.9 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C70 C72 H72A 109.5 . . ?
C70 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C70 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
Pt1 C73 H73A 109.5 . . ?
Pt1 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
Pt1 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C79 C74 C75 120(4) . . ?
C79 C74 C80 126(4) . . ?
C75 C74 C80 114(3) . . ?
C74 C75 C76 117(3) . . ?
C74 C75 H75 121.5 . . ?
C76 C75 H75 121.5 . . ?
C77 C76 C75 120(3) . . ?
C77 C76 H76 119.9 . . ?
C75 C76 H76 119.9 . . ?
C78 C77 C76 120(3) . . ?
C78 C77 H77 120.2 . . ?
C76 C77 H77 120.2 . . ?
C77 C78 C79 119(3) . . ?
C77 C78 H78 120.7 . . ?
C79 C78 H78 120.7 . . ?
C74 C79 C78 124(3) . . ?
C74 C79 H79 118.0 . . ?
C78 C79 H79 118.0 . . ?
C74 C80 H80A 109.5 . . ?
C74 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C74 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C82 C81 C86 125(3) . . ?
C82 C81 C87 110(4) . . ?
C86 C81 C87 125(5) . . ?
C83 C82 C81 113(4) . . ?
C83 C82 H82 123.6 . . ?
C81 C82 H82 123.6 . . ?
C82 C83 C84 131(3) . . ?
C82 C83 H83 114.3 . . ?
C84 C83 H83 114.3 . . ?
C85 C84 C83 112(3) . . ?
C85 C84 H84 123.9 . . ?
C83 C84 H84 123.9 . . ?
C84 C85 C86 128(4) . . ?
C84 C85 H85 116.1 . . ?
C86 C85 H85 116.1 . . ?
C85 C86 C81 111(3) . . ?
C85 C86 H86 124.6 . . ?
C81 C86 H86 124.6 . . ?
C81 C87 H87A 109.5 . . ?
C81 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C81 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 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
N2 Pt1 N1 C1 -6.9(7) . . . . ?
Cl1 Pt1 N1 C1 167.8(6) . . . . ?
N2 Pt1 N1 C13 -175.6(8) . . . . ?
Cl1 Pt1 N1 C13 -0.9(8) . . . . ?
C73 Pt1 N2 C12 -174.7(9) . . . . ?
N1 Pt1 N2 C12 5.9(9) . . . . ?
C73 Pt1 N2 C43 -9.5(10) . . . . ?
N1 Pt1 N2 C43 171.0(10) . . . . ?
C13 N1 C1 C2 5.1(16) . . . . ?
Pt1 N1 C1 C2 -164.9(9) . . . . ?
C13 N1 C1 C12 176.7(8) . . . . ?
Pt1 N1 C1 C12 6.7(10) . . . . ?
N1 C1 C2 C3 3(2) . . . . ?
C12 C1 C2 C3 -168.8(12) . . . . ?
N1 C1 C2 C11 171.4(10) . . . . ?
C12 C1 C2 C11 -0.6(10) . . . . ?
C11 C2 C3 C4 3.0(17) . . . . ?
C1 C2 C3 C4 170.2(13) . . . . ?
C2 C3 C4 C5 0(2) . . . . ?
C3 C4 C5 C6 -2(2) . . . . ?
C4 C5 C6 C11 0.6(18) . . . . ?
C4 C5 C6 C7 -176.7(13) . . . . ?
C11 C6 C7 C8 -1.0(16) . . . . ?
C5 C6 C7 C8 176.4(11) . . . . ?
C6 C7 C8 C9 -0.8(18) . . . . ?
C7 C8 C9 C10 1.3(15) . . . . ?
C8 C9 C10 C11 0.1(13) . . . . ?
C8 C9 C10 C12 -175.0(10) . . . . ?
C5 C6 C11 C10 -175.2(10) . . . . ?
C7 C6 C11 C10 2.4(15) . . . . ?
C5 C6 C11 C2 2.4(15) . . . . ?
C7 C6 C11 C2 -179.9(9) . . . . ?
C9 C10 C11 C6 -2.1(15) . . . . ?
C12 C10 C11 C6 174.3(9) . . . . ?
C9 C10 C11 C2 -179.9(8) . . . . ?
C12 C10 C11 C2 -3.6(11) . . . . ?
C3 C2 C11 C6 -4.2(15) . . . . ?
C1 C2 C11 C6 -175.3(9) . . . . ?
C3 C2 C11 C10 173.7(9) . . . . ?
C1 C2 C11 C10 2.6(11) . . . . ?
C43 N2 C12 C10 0.0(19) . . . . ?
Pt1 N2 C12 C10 166.4(9) . . . . ?
C43 N2 C12 C1 -170.7(9) . . . . ?
Pt1 N2 C12 C1 -4.2(13) . . . . ?
C9 C10 C12 N2 7(2) . . . . ?
C11 C10 C12 N2 -168.4(12) . . . . ?
C9 C10 C12 C1 178.6(10) . . . . ?
C11 C10 C12 C1 3.0(10) . . . . ?
N1 C1 C12 N2 -2.0(14) . . . . ?
C2 C1 C12 N2 171.6(10) . . . . ?
N1 C1 C12 C10 -175.1(8) . . . . ?
C2 C1 C12 C10 -1.5(10) . . . . ?
C1 N1 C13 C14 -106.4(10) . . . . ?
Pt1 N1 C13 C14 61.6(11) . . . . ?
C1 N1 C13 C18 73.5(12) . . . . ?
Pt1 N1 C13 C18 -118.6(9) . . . . ?
C18 C13 C14 C15 -3.6(14) . . . . ?
N1 C13 C14 C15 176.2(8) . . . . ?
C13 C14 C15 C16 2.7(14) . . . . ?
C13 C14 C15 C19 -179.5(9) . . . . ?
C14 C15 C16 C17 0.4(14) . . . . ?
C19 C15 C16 C17 -177.3(9) . . . . ?
C15 C16 C17 C18 -2.7(15) . . . . ?
C15 C16 C17 C31 176.1(9) . . . . ?
C14 C13 C18 C17 1.2(15) . . . . ?
N1 C13 C18 C17 -178.6(9) . . . . ?
C16 C17 C18 C13 1.9(15) . . . . ?
C31 C17 C18 C13 -176.8(9) . . . . ?
C14 C15 C19 C24 -103.9(11) . . . . ?
C16 C15 C19 C24 73.8(12) . . . . ?
C14 C15 C19 C20 75.6(13) . . . . ?
C16 C15 C19 C20 -106.7(12) . . . . ?
C24 C19 C20 C21 -3.4(17) . . . . ?
C15 C19 C20 C21 177.2(10) . . . . ?
C24 C19 C20 C25 180.0(12) . . . . ?
C15 C19 C20 C25 0.5(17) . . . . ?
C19 C20 C21 C22 1.6(18) . . . . ?
C25 C20 C21 C22 178.2(13) . . . . ?
C20 C21 C22 C23 -0.3(19) . . . . ?
C21 C22 C23 C24 0.7(18) . . . . ?
C20 C19 C24 C23 3.8(15) . . . . ?
C15 C19 C24 C23 -176.7(9) . . . . ?
C20 C19 C24 C28 -172.6(10) . . . . ?
C15 C19 C24 C28 6.8(14) . . . . ?
C22 C23 C24 C19 -2.5(16) . . . . ?
C22 C23 C24 C28 174.0(11) . . . . ?
C21 C20 C25 C26 -94.0(18) . . . . ?
C19 C20 C25 C26 82.5(13) . . . . ?
C21 C20 C25 C27 32.8(17) . . . . ?
C19 C20 C25 C27 -150.7(11) . . . . ?
C19 C24 C28 C29 115.7(12) . . . . ?
C23 C24 C28 C29 -60.7(14) . . . . ?
C19 C24 C28 C30 -118.4(12) . . . . ?
C23 C24 C28 C30 65.2(14) . . . . ?
C16 C17 C31 C32 -87.6(12) . . . . ?
C18 C17 C31 C32 91.1(13) . . . . ?
C16 C17 C31 C36 93.0(12) . . . . ?
C18 C17 C31 C36 -88.3(13) . . . . ?
C36 C31 C32 C33 -3.2(16) . . . . ?
C17 C31 C32 C33 177.4(11) . . . . ?
C36 C31 C32 C37 178.7(10) . . . . ?
C17 C31 C32 C37 -0.6(15) . . . . ?
C31 C32 C33 C34 3.1(19) . . . . ?
C37 C32 C33 C34 -178.8(12) . . . . ?
C32 C33 C34 C35 -1(2) . . . . ?
C33 C34 C35 C36 -0.6(19) . . . . ?
C34 C35 C36 C31 0.5(17) . . . . ?
C34 C35 C36 C40 -178.9(10) . . . . ?
C32 C31 C36 C35 1.5(14) . . . . ?
C17 C31 C36 C35 -179.2(10) . . . . ?
C32 C31 C36 C40 -179.1(9) . . . . ?
C17 C31 C36 C40 0.2(14) . . . . ?
C31 C32 C37 C38 -102.8(13) . . . . ?
C33 C32 C37 C38 79.1(15) . . . . ?
C31 C32 C37 C39 130.5(12) . . . . ?
C33 C32 C37 C39 -47.6(16) . . . . ?
C35 C36 C40 C41 71.7(14) . . . . ?
C31 C36 C40 C41 -107.7(12) . . . . ?
C35 C36 C40 C42 -52.4(15) . . . . ?
C31 C36 C40 C42 128.2(12) . . . . ?
C12 N2 C43 C44 87.5(14) . . . . ?
Pt1 N2 C43 C44 -77.0(11) . . . . ?
C12 N2 C43 C48 -92.1(12) . . . . ?
Pt1 N2 C43 C48 103.4(11) . . . . ?
C48 C43 C44 C45 1.2(14) . . . . ?
N2 C43 C44 C45 -178.5(9) . . . . ?
C43 C44 C45 C46 -0.6(14) . . . . ?
C43 C44 C45 C49 -179.7(9) . . . . ?
C44 C45 C46 C47 -0.3(15) . . . . ?
C49 C45 C46 C47 178.8(9) . . . . ?
C45 C46 C47 C48 0.6(15) . . . . ?
C45 C46 C47 C61 -179.8(9) . . . . ?
C46 C47 C48 C43 0.0(14) . . . . ?
C61 C47 C48 C43 -179.6(9) . . . . ?
C44 C43 C48 C47 -0.8(14) . . . . ?
N2 C43 C48 C47 178.8(9) . . . . ?
C44 C45 C49 C54 98.6(12) . . . . ?
C46 C45 C49 C54 -80.5(13) . . . . ?
C44 C45 C49 C50 -80.2(13) . . . . ?
C46 C45 C49 C50 100.7(12) . . . . ?
C54 C49 C50 C51 0.5(16) . . . . ?
C45 C49 C50 C51 179.3(10) . . . . ?
C54 C49 C50 C55 -178.9(11) . . . . ?
C45 C49 C50 C55 -0.1(16) . . . . ?
C49 C50 C51 C52 -0.1(18) . . . . ?
C55 C50 C51 C52 179.2(12) . . . . ?
C50 C51 C52 C53 -1(2) . . . . ?
C51 C52 C53 C54 1(2) . . . . ?
C50 C49 C54 C53 0.0(16) . . . . ?
C45 C49 C54 C53 -178.8(11) . . . . ?
C50 C49 C54 C58 177.8(11) . . . . ?
C45 C49 C54 C58 -1.0(15) . . . . ?
C52 C53 C54 C49 -0.8(19) . . . . ?
C52 C53 C54 C58 -178.7(12) . . . . ?
C51 C50 C55 C56 -70.5(16) . . . . ?
C49 C50 C55 C56 108.8(13) . . . . ?
C51 C50 C55 C57 55.8(17) . . . . ?
C49 C50 C55 C57 -124.9(13) . . . . ?
C49 C54 C58 C59 -112.9(13) . . . . ?
C53 C54 C58 C59 64.9(15) . . . . ?
C49 C54 C58 C60 125.4(12) . . . . ?
C53 C54 C58 C60 -56.8(15) . . . . ?
C48 C47 C61 C62 -96.8(12) . . . . ?
C46 C47 C61 C62 83.6(12) . . . . ?
C48 C47 C61 C66 84.4(14) . . . . ?
C46 C47 C61 C66 -95.2(14) . . . . ?
C66 C61 C62 C63 2.8(16) . . . . ?
C47 C61 C62 C63 -176.0(9) . . . . ?
C66 C61 C62 C67 -175.6(12) . . . . ?
C47 C61 C62 C67 5.7(15) . . . . ?
C61 C62 C63 C64 0.7(18) . . . . ?
C67 C62 C63 C64 179.0(14) . . . . ?
C62 C63 C64 C65 -3(3) . . . . ?
C63 C64 C65 C66 2(3) . . . . ?
C64 C65 C66 C61 1(2) . . . . ?
C64 C65 C66 C70 177.6(17) . . . . ?
C62 C61 C66 C65 -4(2) . . . . ?
C47 C61 C66 C65 175.0(12) . . . . ?
C62 C61 C66 C70 180.0(12) . . . . ?
C47 C61 C66 C70 -1(2) . . . . ?
C61 C62 C67 C68 110.9(17) . . . . ?
C63 C62 C67 C68 -67.3(19) . . . . ?
C61 C62 C67 C69 -127.6(15) . . . . ?
C63 C62 C67 C69 54.2(18) . . . . ?
C65 C66 C70 C71 36(2) . . . . ?
C61 C66 C70 C71 -148.0(17) . . . . ?
C65 C66 C70 C72 -89(2) . . . . ?
C61 C66 C70 C72 87.5(16) . . . . ?
C79 C74 C75 C76 6(4) . . . . ?
C80 C74 C75 C76 -177(2) . . . . ?
C74 C75 C76 C77 -8(4) . . . . ?
C75 C76 C77 C78 4(4) . . . . ?
C76 C77 C78 C79 3(4) . . . . ?
C75 C74 C79 C78 0(4) . . . . ?
C80 C74 C79 C78 -176(3) . . . . ?
C77 C78 C79 C74 -5(4) . . . . ?
C86 C81 C82 C83 1(3) . . . . ?
C87 C81 C82 C83 179.2(19) . . . . ?
C81 C82 C83 C84 2(4) . . . . ?
C82 C83 C84 C85 -6(4) . . . . ?
C83 C84 C85 C86 6(4) . . . . ?
C84 C85 C86 C81 -4(4) . . . . ?
C82 C81 C86 C85 -1(3) . . . . ?
C87 C81 C86 C85 -178.3(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.811
_refine_diff_density_min         -0.829
_refine_diff_density_rms         0.144

_database_code_depnum_ccdc_archive 'CCDC 945771'
#######################################################################
#
#                 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_Compound_I
#-----------------------------------------------------------------------------
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1991)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
#-----------------------------------------------------------------------------
_vrf_PUBL012_GLOBAL              
;
PROBLEM: _publ_section_abstract is missing.
RESPONSE: Will appear in the paper
;
# end Validation Reply Form

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C73 H80 N2 O3 Pt'
_chemical_formula_sum            'C73 H80 N2 O3 Pt'
_chemical_formula_weight         1228.48

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'
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   12.8521(2)
_cell_length_b                   17.3118(3)
_cell_length_c                   18.6475(2)
_cell_angle_alpha                85.2139(8)
_cell_angle_beta                 78.4370(8)
_cell_angle_gamma                78.0342(7)
_cell_volume                     3972.62(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    18083
_cell_measurement_theta_min      1.00
_cell_measurement_theta_max      27.48

_exptl_crystal_description       Plate
_exptl_crystal_colour            'Pale yellow/green'
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.027
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1268
_exptl_absorpt_coefficient_mu    1.804
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7863
_exptl_absorpt_correction_T_max  0.9152
_exptl_absorpt_process_details   'SORTAV: (Blessing, 1997)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(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  'Nonius APEX2 CCD'
_diffrn_measurement_method       ' \w and \f scans '
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            34948
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.84
_diffrn_reflns_theta_max         27.56
_reflns_number_total             18210
_reflns_number_gt                15786
_reflns_threshold_expression     >2sigma(I)

_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^)+(0.0550P)^2^+6.0368P] 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_number_reflns         18210
_refine_ls_number_parameters     728
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.1139
_refine_ls_wR_factor_gt          0.1091
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.005
_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 0.802090(11) 0.020756(8) 0.774199(8) 0.02555(5) Uani 1 1 d . . .
O1 O 0.9514(2) -0.04437(17) 0.75427(17) 0.0362(6) Uani 1 1 d . . .
O2 O 0.9174(2) 0.08232(17) 0.77162(17) 0.0356(6) Uani 1 1 d . . .
O3 O 1.0918(3) 0.0173(2) 0.7501(2) 0.0545(9) Uani 1 1 d . . .
N1 N 0.6596(2) 0.09614(17) 0.79611(16) 0.0238(6) Uani 1 1 d . . .
N2 N 0.6996(2) -0.05158(17) 0.77388(16) 0.0247(6) Uani 1 1 d . . .
C1 C 0.5745(3) 0.0650(2) 0.80415(19) 0.0249(7) Uani 1 1 d . . .
C2 C 0.5977(3) -0.0202(2) 0.78969(19) 0.0261(7) Uani 1 1 d . . .
C3 C 0.4953(3) -0.0468(2) 0.8012(2) 0.0268(7) Uani 1 1 d . . .
C4 C 0.4640(3) -0.1167(2) 0.7974(2) 0.0322(8) Uani 1 1 d . . .
H4 H 0.5159 -0.1629 0.7823 0.039 Uiso 1 1 calc R . .
C5 C 0.3528(4) -0.1187(3) 0.8163(2) 0.0383(9) Uani 1 1 d . . .
H5 H 0.3306 -0.1672 0.8135 0.046 Uiso 1 1 calc R . .
C6 C 0.2759(3) -0.0541(3) 0.8385(2) 0.0382(9) Uani 1 1 d . . .
H6 H 0.2018 -0.0583 0.8506 0.046 Uiso 1 1 calc R . .
C7 C 0.3055(3) 0.0189(3) 0.8436(2) 0.0345(9) Uani 1 1 d . . .
C8 C 0.2359(4) 0.0903(3) 0.8667(3) 0.0448(11) Uani 1 1 d . . .
H8 H 0.1601 0.0924 0.8801 0.054 Uiso 1 1 calc R . .
C9 C 0.2770(4) 0.1570(3) 0.8699(3) 0.0439(10) Uani 1 1 d . . .
H9 H 0.2283 0.2040 0.8864 0.053 Uiso 1 1 calc R . .
C10 C 0.3879(3) 0.1584(2) 0.8499(2) 0.0361(9) Uani 1 1 d . . .
H10 H 0.4139 0.2053 0.8527 0.043 Uiso 1 1 calc R . .
C11 C 0.4575(3) 0.0903(2) 0.8263(2) 0.0265(7) Uani 1 1 d . . .
C12 C 0.4152(3) 0.0209(2) 0.8241(2) 0.0292(8) Uani 1 1 d . . .
C13 C 0.6552(3) 0.1793(2) 0.7971(2) 0.0243(7) Uani 1 1 d . . .
C14 C 0.5926(3) 0.2326(2) 0.7547(2) 0.0262(7) Uani 1 1 d . . .
H14 H 0.5469 0.2145 0.7283 0.031 Uiso 1 1 calc R . .
C15 C 0.5976(3) 0.3117(2) 0.75144(19) 0.0253(7) Uani 1 1 d . . .
C16 C 0.6645(3) 0.3373(2) 0.79112(19) 0.0249(7) Uani 1 1 d . . .
H16 H 0.6676 0.3918 0.7890 0.030 Uiso 1 1 calc R . .
C17 C 0.7268(3) 0.2844(2) 0.83373(19) 0.0251(7) Uani 1 1 d . . .
C18 C 0.7226(3) 0.2047(2) 0.8355(2) 0.0256(7) Uani 1 1 d . . .
H18 H 0.7661 0.1676 0.8632 0.031 Uiso 1 1 calc R . .
C19 C 0.5333(3) 0.3690(2) 0.7042(2) 0.0286(8) Uani 1 1 d . . .
C20 C 0.5765(3) 0.3798(2) 0.6297(2) 0.0310(8) Uani 1 1 d . . .
C21 C 0.5149(4) 0.4343(3) 0.5873(2) 0.0395(10) Uani 1 1 d . . .
H21 H 0.5424 0.4426 0.5366 0.047 Uiso 1 1 calc R . .
C22 C 0.4149(4) 0.4761(3) 0.6183(3) 0.0446(11) Uani 1 1 d . . .
H22 H 0.3744 0.5133 0.5889 0.054 Uiso 1 1 calc R . .
C23 C 0.3732(4) 0.4646(3) 0.6910(3) 0.0409(10) Uani 1 1 d . . .
H23 H 0.3038 0.4936 0.7114 0.049 Uiso 1 1 calc R . .
C24 C 0.4309(3) 0.4110(2) 0.7356(2) 0.0319(8) Uani 1 1 d . . .
C25 C 0.6859(4) 0.3351(3) 0.5940(2) 0.0414(10) Uani 1 1 d . . .
H25 H 0.7174 0.2992 0.6324 0.050 Uiso 1 1 calc R . .
C26 C 0.6759(6) 0.2841(5) 0.5340(4) 0.087(2) Uani 1 1 d . . .
H26A H 0.6297 0.2462 0.5549 0.130 Uiso 1 1 calc R . .
H26B H 0.7479 0.2554 0.5122 0.130 Uiso 1 1 calc R . .
H26C H 0.6437 0.3178 0.4961 0.130 Uiso 1 1 calc R . .
C27 C 0.7626(5) 0.3906(4) 0.5636(4) 0.0780(19) Uani 1 1 d . . .
H27A H 0.7340 0.4258 0.5251 0.117 Uiso 1 1 calc R . .
H27B H 0.8338 0.3597 0.5429 0.117 Uiso 1 1 calc R . .
H27C H 0.7697 0.4221 0.6030 0.117 Uiso 1 1 calc R . .
C28 C 0.3817(3) 0.3997(3) 0.8158(2) 0.0358(9) Uani 1 1 d . . .
H28 H 0.4313 0.3558 0.8374 0.043 Uiso 1 1 calc R . .
C29 C 0.2714(4) 0.3753(3) 0.8245(3) 0.0439(10) Uani 1 1 d . . .
H29A H 0.2212 0.4173 0.8032 0.066 Uiso 1 1 calc R . .
H29B H 0.2424 0.3667 0.8766 0.066 Uiso 1 1 calc R . .
H29C H 0.2804 0.3264 0.7991 0.066 Uiso 1 1 calc R . .
C30 C 0.3738(4) 0.4737(3) 0.8567(3) 0.0460(11) Uani 1 1 d . . .
H30A H 0.4459 0.4864 0.8510 0.069 Uiso 1 1 calc R . .
H30B H 0.3452 0.4644 0.9088 0.069 Uiso 1 1 calc R . .
H30C H 0.3254 0.5178 0.8366 0.069 Uiso 1 1 calc R . .
C31 C 0.8023(3) 0.3105(2) 0.8748(2) 0.0274(8) Uani 1 1 d . . .
C32 C 0.9070(3) 0.3152(3) 0.8389(2) 0.0364(9) Uani 1 1 d . . .
C33 C 0.9746(4) 0.3387(3) 0.8790(3) 0.0448(11) Uani 1 1 d . . .
H33 H 1.0457 0.3438 0.8554 0.054 Uiso 1 1 calc R . .
C34 C 0.9415(4) 0.3546(3) 0.9510(3) 0.0477(12) Uani 1 1 d . . .
H34 H 0.9899 0.3697 0.9771 0.057 Uiso 1 1 calc R . .
C35 C 0.8374(4) 0.3488(3) 0.9868(3) 0.0421(10) Uani 1 1 d . . .
H35 H 0.8151 0.3600 1.0372 0.051 Uiso 1 1 calc R . .
C36 C 0.7654(3) 0.3268(2) 0.9492(2) 0.0313(8) Uani 1 1 d . . .
C37 C 0.9471(4) 0.2976(4) 0.7591(3) 0.0521(13) Uani 1 1 d . . .
H37 H 0.8936 0.2714 0.7432 0.063 Uiso 1 1 calc R . .
C38 C 0.9514(7) 0.3737(5) 0.7129(3) 0.102(3) Uani 1 1 d . . .
H38A H 0.8790 0.4072 0.7192 0.152 Uiso 1 1 calc R . .
H38B H 0.9767 0.3614 0.6612 0.152 Uiso 1 1 calc R . .
H38C H 1.0015 0.4017 0.7285 0.152 Uiso 1 1 calc R . .
C39 C 1.0558(5) 0.2416(4) 0.7461(3) 0.0703(17) Uani 1 1 d . . .
H39A H 1.1106 0.2666 0.7596 0.106 Uiso 1 1 calc R . .
H39B H 1.0764 0.2291 0.6943 0.106 Uiso 1 1 calc R . .
H39C H 1.0508 0.1928 0.7762 0.106 Uiso 1 1 calc R . .
C40 C 0.6523(4) 0.3226(3) 0.9875(2) 0.0402(10) Uani 1 1 d . . .
H40 H 0.6250 0.2859 0.9604 0.048 Uiso 1 1 calc R . .
C41 C 0.5791(5) 0.4023(4) 0.9848(4) 0.0667(16) Uani 1 1 d . . .
H41A H 0.5970 0.4375 1.0171 0.100 Uiso 1 1 calc R . .
H41B H 0.5036 0.3967 1.0011 0.100 Uiso 1 1 calc R . .
H41C H 0.5891 0.4248 0.9345 0.100 Uiso 1 1 calc R . .
C42 C 0.6460(6) 0.2903(5) 1.0663(3) 0.081(2) Uani 1 1 d . . .
H42A H 0.6958 0.2392 1.0676 0.121 Uiso 1 1 calc R . .
H42B H 0.5719 0.2834 1.0867 0.121 Uiso 1 1 calc R . .
H42C H 0.6663 0.3275 1.0954 0.121 Uiso 1 1 calc R . .
C43 C 0.7373(3) -0.1313(2) 0.7518(2) 0.0251(7) Uani 1 1 d . . .
C44 C 0.7040(3) -0.1567(2) 0.6935(2) 0.0274(7) Uani 1 1 d . . .
H44 H 0.6532 -0.1217 0.6695 0.033 Uiso 1 1 calc R . .
C45 C 0.7440(3) -0.2332(2) 0.6694(2) 0.0278(8) Uani 1 1 d . . .
C46 C 0.8162(3) -0.2825(2) 0.7067(2) 0.0267(7) Uani 1 1 d . . .
H46 H 0.8442 -0.3349 0.6910 0.032 Uiso 1 1 calc R . .
C47 C 0.8501(3) -0.2581(2) 0.7670(2) 0.0262(7) Uani 1 1 d . . .
C48 C 0.8112(3) -0.1815(2) 0.7883(2) 0.0268(7) Uani 1 1 d . . .
H48 H 0.8346 -0.1630 0.8277 0.032 Uiso 1 1 calc R . .
C49 C 0.7104(3) -0.2611(2) 0.6063(2) 0.0306(8) Uani 1 1 d . . .
C50 C 0.7556(4) -0.2378(3) 0.5347(2) 0.0374(9) Uani 1 1 d . . .
C51 C 0.7222(4) -0.2645(3) 0.4763(3) 0.0502(12) Uani 1 1 d . . .
H51 H 0.7515 -0.2490 0.4276 0.060 Uiso 1 1 calc R . .
C52 C 0.6474(5) -0.3129(3) 0.4882(3) 0.0551(13) Uani 1 1 d . . .
H52 H 0.6250 -0.3299 0.4476 0.066 Uiso 1 1 calc R . .
C53 C 0.6049(4) -0.3366(3) 0.5574(3) 0.0480(12) Uani 1 1 d . . .
H53 H 0.5545 -0.3709 0.5646 0.058 Uiso 1 1 calc R . .
C54 C 0.6350(3) -0.3108(2) 0.6179(2) 0.0356(9) Uani 1 1 d . . .
C55 C 0.8422(4) -0.1877(3) 0.5194(2) 0.0429(10) Uani 1 1 d . . .
H55 H 0.8363 -0.1582 0.5644 0.052 Uiso 1 1 calc R . .
C56 C 0.9545(5) -0.2402(4) 0.5048(4) 0.0729(18) Uani 1 1 d . . .
H56A H 0.9662 -0.2736 0.5486 0.109 Uiso 1 1 calc R . .
H56B H 1.0094 -0.2071 0.4925 0.109 Uiso 1 1 calc R . .
H56C H 0.9600 -0.2737 0.4638 0.109 Uiso 1 1 calc R . .
C57 C 0.8319(6) -0.1276(4) 0.4562(3) 0.0654(16) Uani 1 1 d . . .
H57A H 0.8444 -0.1551 0.4105 0.098 Uiso 1 1 calc R . .
H57B H 0.8856 -0.0941 0.4529 0.098 Uiso 1 1 calc R . .
H57C H 0.7590 -0.0948 0.4643 0.098 Uiso 1 1 calc R . .
C58 C 0.5859(4) -0.3390(3) 0.6940(2) 0.0396(10) Uani 1 1 d . . .
H58 H 0.6114 -0.3116 0.7304 0.048 Uiso 1 1 calc R . .
C59 C 0.4622(4) -0.3176(3) 0.7078(3) 0.0547(13) Uani 1 1 d . . .
H59A H 0.4391 -0.2604 0.7004 0.082 Uiso 1 1 calc R . .
H59B H 0.4331 -0.3337 0.7583 0.082 Uiso 1 1 calc R . .
H59C H 0.4350 -0.3450 0.6737 0.082 Uiso 1 1 calc R . .
C60 C 0.6228(5) -0.4278(3) 0.7068(4) 0.0606(14) Uani 1 1 d . . .
H60A H 0.5973 -0.4561 0.6726 0.091 Uiso 1 1 calc R . .
H60B H 0.5928 -0.4434 0.7572 0.091 Uiso 1 1 calc R . .
H60C H 0.7021 -0.4408 0.6989 0.091 Uiso 1 1 calc R . .
C61 C 0.9279(3) -0.3157(2) 0.8039(2) 0.0277(8) Uani 1 1 d . . .
C62 C 0.8896(4) -0.3727(2) 0.8540(2) 0.0349(9) Uani 1 1 d . . .
C63 C 0.9646(4) -0.4294(3) 0.8848(3) 0.0451(11) Uani 1 1 d . . .
H63 H 0.9399 -0.4687 0.9187 0.054 Uiso 1 1 calc R . .
C64 C 1.0730(4) -0.4288(3) 0.8665(3) 0.0463(11) Uani 1 1 d . . .
H64 H 1.1229 -0.4683 0.8873 0.056 Uiso 1 1 calc R . .
C65 C 1.1105(4) -0.3717(3) 0.8184(3) 0.0444(11) Uani 1 1 d . . .
H65 H 1.1859 -0.3716 0.8068 0.053 Uiso 1 1 calc R . .
C66 C 1.0383(3) -0.3137(3) 0.7864(3) 0.0376(9) Uani 1 1 d . . .
C67 C 0.7695(4) -0.3727(3) 0.8774(3) 0.0517(12) Uani 1 1 d . . .
H67 H 0.7313 -0.3389 0.8408 0.062 Uiso 1 1 calc R . .
C68 C 0.7280(7) -0.3347(7) 0.9521(5) 0.136(4) Uani 1 1 d . . .
H68A H 0.7599 -0.3689 0.9899 0.204 Uiso 1 1 calc R . .
H68B H 0.6490 -0.3279 0.9643 0.204 Uiso 1 1 calc R . .
H68C H 0.7488 -0.2830 0.9497 0.204 Uiso 1 1 calc R . .
C69 C 0.7405(6) -0.4534(4) 0.8812(5) 0.090(2) Uani 1 1 d . . .
H69A H 0.7703 -0.4784 0.8343 0.135 Uiso 1 1 calc R . .
H69B H 0.6615 -0.4478 0.8914 0.135 Uiso 1 1 calc R . .
H69C H 0.7708 -0.4862 0.9204 0.135 Uiso 1 1 calc R . .
C70 C 1.0826(4) -0.2520(3) 0.7337(3) 0.0554(14) Uani 1 1 d . . .
H70 H 1.0199 -0.2126 0.7205 0.066 Uiso 1 1 calc R . .
C71 C 1.1489(7) -0.2903(6) 0.6632(4) 0.107(3) Uani 1 1 d . . .
H71A H 1.2102 -0.3300 0.6750 0.161 Uiso 1 1 calc R . .
H71B H 1.1760 -0.2496 0.6291 0.161 Uiso 1 1 calc R . .
H71C H 1.1029 -0.3157 0.6406 0.161 Uiso 1 1 calc R . .
C72 C 1.1499(5) -0.2084(4) 0.7674(4) 0.078(2) Uani 1 1 d . . .
H72A H 1.1057 -0.1830 0.8114 0.117 Uiso 1 1 calc R . .
H72B H 1.1754 -0.1682 0.7320 0.117 Uiso 1 1 calc R . .
H72C H 1.2123 -0.2459 0.7806 0.117 Uiso 1 1 calc R . .
C73 C 0.9969(4) 0.0186(3) 0.7577(3) 0.0387(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
Pt1 0.02414(8) 0.02170(8) 0.03198(8) -0.00271(5) -0.00947(5) -0.00245(5)
O1 0.0222(13) 0.0311(15) 0.0528(17) -0.0065(13) -0.0066(12) 0.0020(11)
O2 0.0259(14) 0.0297(15) 0.0538(18) -0.0050(13) -0.0095(13) -0.0078(11)
O3 0.0247(16) 0.053(2) 0.087(3) -0.0060(18) -0.0139(16) -0.0048(14)
N1 0.0261(15) 0.0196(14) 0.0272(15) -0.0008(11) -0.0064(12) -0.0063(12)
N2 0.0262(16) 0.0210(14) 0.0287(15) -0.0018(12) -0.0113(12) -0.0024(12)
C1 0.0296(19) 0.0213(17) 0.0243(16) 0.0004(13) -0.0097(14) -0.0026(14)
C2 0.0295(19) 0.0248(18) 0.0257(17) 0.0027(14) -0.0101(14) -0.0054(15)
C3 0.0261(18) 0.0256(18) 0.0294(18) 0.0003(14) -0.0089(14) -0.0038(14)
C4 0.033(2) 0.0254(19) 0.041(2) -0.0005(16) -0.0112(17) -0.0085(16)
C5 0.040(2) 0.037(2) 0.044(2) 0.0033(18) -0.0148(19) -0.0163(19)
C6 0.031(2) 0.039(2) 0.048(2) 0.0073(19) -0.0101(18) -0.0151(18)
C7 0.029(2) 0.037(2) 0.037(2) 0.0054(17) -0.0075(16) -0.0074(17)
C8 0.029(2) 0.045(3) 0.058(3) 0.007(2) -0.003(2) -0.0094(19)
C9 0.032(2) 0.034(2) 0.057(3) -0.006(2) 0.002(2) 0.0042(18)
C10 0.031(2) 0.025(2) 0.048(2) -0.0039(17) -0.0025(18) -0.0005(16)
C11 0.0240(18) 0.0241(18) 0.0302(18) 0.0003(14) -0.0050(14) -0.0030(14)
C12 0.0275(19) 0.0278(19) 0.0331(19) 0.0032(15) -0.0079(15) -0.0072(15)
C13 0.0232(17) 0.0184(16) 0.0311(18) -0.0035(13) -0.0052(14) -0.0029(13)
C14 0.0245(18) 0.0248(18) 0.0307(18) -0.0007(14) -0.0088(14) -0.0043(14)
C15 0.0247(18) 0.0255(18) 0.0260(17) 0.0003(14) -0.0072(14) -0.0041(14)
C16 0.0253(18) 0.0206(17) 0.0292(18) -0.0012(13) -0.0063(14) -0.0042(14)
C17 0.0261(18) 0.0254(18) 0.0247(17) -0.0027(14) -0.0067(14) -0.0043(14)
C18 0.0275(18) 0.0222(17) 0.0280(17) 0.0000(14) -0.0100(14) -0.0025(14)
C19 0.032(2) 0.0225(18) 0.0353(19) -0.0007(14) -0.0137(16) -0.0079(15)
C20 0.037(2) 0.0280(19) 0.0303(19) 0.0029(15) -0.0108(16) -0.0087(16)
C21 0.047(3) 0.038(2) 0.035(2) 0.0076(17) -0.0143(19) -0.006(2)
C22 0.053(3) 0.037(2) 0.048(3) 0.0113(19) -0.029(2) -0.005(2)
C23 0.035(2) 0.039(2) 0.047(2) 0.0031(19) -0.0164(19) 0.0016(18)
C24 0.031(2) 0.0274(19) 0.037(2) 0.0031(16) -0.0103(16) -0.0047(16)
C25 0.045(3) 0.040(2) 0.030(2) 0.0015(17) -0.0009(18) 0.005(2)
C26 0.079(5) 0.089(5) 0.087(5) -0.052(4) 0.011(4) -0.010(4)
C27 0.048(3) 0.067(4) 0.108(5) -0.003(4) 0.006(3) -0.009(3)
C28 0.028(2) 0.039(2) 0.036(2) -0.0016(17) -0.0032(16) 0.0027(17)
C29 0.035(2) 0.044(3) 0.049(3) -0.004(2) -0.0003(19) -0.005(2)
C30 0.038(2) 0.049(3) 0.049(3) -0.007(2) -0.009(2) -0.003(2)
C31 0.0261(18) 0.0240(18) 0.0360(19) -0.0010(15) -0.0130(15) -0.0068(15)
C32 0.031(2) 0.044(2) 0.037(2) -0.0020(18) -0.0112(17) -0.0077(18)
C33 0.029(2) 0.053(3) 0.057(3) -0.003(2) -0.013(2) -0.012(2)
C34 0.055(3) 0.042(3) 0.060(3) -0.005(2) -0.036(2) -0.015(2)
C35 0.049(3) 0.042(2) 0.043(2) -0.0077(19) -0.018(2) -0.012(2)
C36 0.041(2) 0.0260(19) 0.0326(19) 0.0003(15) -0.0134(17) -0.0127(16)
C37 0.033(2) 0.084(4) 0.043(3) -0.009(2) -0.0016(19) -0.020(2)
C38 0.116(7) 0.125(7) 0.041(3) 0.017(4) 0.005(4) 0.001(5)
C39 0.051(3) 0.093(5) 0.063(4) -0.028(3) 0.006(3) -0.011(3)
C40 0.046(3) 0.043(2) 0.034(2) -0.0059(18) -0.0052(18) -0.016(2)
C41 0.042(3) 0.063(4) 0.086(4) -0.008(3) 0.002(3) -0.003(3)
C42 0.078(5) 0.109(6) 0.053(3) 0.021(3) -0.001(3) -0.032(4)
C43 0.0250(18) 0.0200(17) 0.0308(18) -0.0052(14) -0.0052(14) -0.0041(14)
C44 0.0223(18) 0.0247(18) 0.0347(19) -0.0035(15) -0.0090(15) 0.0007(14)
C45 0.0264(19) 0.0275(19) 0.0314(18) -0.0047(15) -0.0072(15) -0.0062(15)
C46 0.0289(19) 0.0189(17) 0.0327(19) -0.0032(14) -0.0047(15) -0.0056(14)
C47 0.0214(17) 0.0252(18) 0.0316(18) -0.0003(14) -0.0047(14) -0.0040(14)
C48 0.0299(19) 0.0232(18) 0.0283(18) -0.0028(14) -0.0092(15) -0.0034(15)
C49 0.0288(19) 0.0295(19) 0.0345(19) -0.0120(15) -0.0079(15) -0.0018(16)
C50 0.038(2) 0.037(2) 0.038(2) -0.0100(17) -0.0100(18) -0.0020(18)
C51 0.054(3) 0.067(3) 0.033(2) -0.017(2) -0.011(2) -0.012(3)
C52 0.061(3) 0.066(3) 0.048(3) -0.023(2) -0.020(2) -0.017(3)
C53 0.046(3) 0.049(3) 0.054(3) -0.024(2) -0.010(2) -0.014(2)
C54 0.034(2) 0.032(2) 0.044(2) -0.0112(17) -0.0085(18) -0.0066(17)
C55 0.046(3) 0.049(3) 0.036(2) -0.0062(19) -0.0089(19) -0.013(2)
C56 0.044(3) 0.067(4) 0.107(5) 0.009(4) -0.010(3) -0.018(3)
C57 0.091(5) 0.058(3) 0.047(3) 0.011(3) -0.015(3) -0.018(3)
C58 0.036(2) 0.042(2) 0.044(2) -0.0088(19) -0.0054(18) -0.0139(19)
C59 0.044(3) 0.060(3) 0.059(3) -0.010(3) -0.003(2) -0.012(2)
C60 0.059(3) 0.042(3) 0.082(4) 0.008(3) -0.015(3) -0.013(2)
C61 0.031(2) 0.0203(17) 0.0312(18) -0.0026(14) -0.0099(15) 0.0004(14)
C62 0.040(2) 0.0241(19) 0.040(2) 0.0024(16) -0.0122(18) -0.0017(17)
C63 0.057(3) 0.031(2) 0.047(3) 0.0086(19) -0.019(2) -0.003(2)
C64 0.049(3) 0.036(2) 0.053(3) -0.004(2) -0.024(2) 0.008(2)
C65 0.036(2) 0.043(3) 0.054(3) -0.001(2) -0.019(2) 0.004(2)
C66 0.030(2) 0.035(2) 0.049(2) -0.0023(18) -0.0157(18) -0.0012(17)
C67 0.045(3) 0.047(3) 0.059(3) 0.015(2) -0.006(2) -0.012(2)
C68 0.086(6) 0.199(11) 0.123(7) -0.082(8) 0.054(5) -0.068(7)
C69 0.061(4) 0.062(4) 0.156(8) 0.008(4) -0.032(4) -0.028(3)
C70 0.028(2) 0.056(3) 0.079(4) 0.021(3) -0.011(2) -0.009(2)
C71 0.089(6) 0.154(9) 0.070(5) 0.019(5) 0.007(4) -0.033(6)
C72 0.053(4) 0.062(4) 0.124(6) 0.019(4) -0.027(4) -0.021(3)
C73 0.032(2) 0.037(2) 0.047(2) -0.0046(19) -0.0137(18) -0.0018(18)

_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 O2 1.988(3) . ?
Pt1 O1 1.995(3) . ?
Pt1 N2 1.998(3) . ?
Pt1 N1 2.005(3) . ?
Pt1 C73 2.453(4) . ?
O1 C73 1.350(5) . ?
O2 C73 1.343(5) . ?
O3 C73 1.195(5) . ?
N1 C1 1.294(5) . ?
N1 C13 1.431(4) . ?
N2 C2 1.293(5) . ?
N2 C43 1.431(4) . ?
C1 C11 1.460(5) . ?
C1 C2 1.479(5) . ?
C2 C3 1.454(5) . ?
C3 C4 1.363(5) . ?
C3 C12 1.423(5) . ?
C4 C5 1.409(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.362(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.410(6) . ?
C6 H6 0.9500 . ?
C7 C12 1.391(5) . ?
C7 C8 1.410(6) . ?
C8 C9 1.375(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.404(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.370(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.423(5) . ?
C13 C18 1.385(5) . ?
C13 C14 1.396(5) . ?
C14 C15 1.381(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.397(5) . ?
C15 C19 1.499(5) . ?
C16 C17 1.392(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(5) . ?
C17 C31 1.505(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.401(5) . ?
C19 C24 1.403(6) . ?
C20 C21 1.400(5) . ?
C20 C25 1.509(6) . ?
C21 C22 1.376(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.370(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.391(5) . ?
C23 H23 0.9500 . ?
C24 C28 1.515(6) . ?
C25 C27 1.515(8) . ?
C25 C26 1.522(8) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C30 1.519(6) . ?
C28 C29 1.535(6) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.394(6) . ?
C31 C36 1.405(5) . ?
C32 C33 1.392(6) . ?
C32 C37 1.510(6) . ?
C33 C34 1.357(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.391(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.395(5) . ?
C35 H35 0.9500 . ?
C36 C40 1.500(6) . ?
C37 C39 1.514(8) . ?
C37 C38 1.517(9) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.504(7) . ?
C40 C42 1.520(7) . ?
C40 H40 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.378(5) . ?
C43 C48 1.392(5) . ?
C44 C45 1.394(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.380(5) . ?
C45 C49 1.480(5) . ?
C46 C47 1.409(5) . ?
C46 H46 0.9500 . ?
C47 C48 1.379(5) . ?
C47 C61 1.488(5) . ?
C48 H48 0.9500 . ?
C49 C54 1.399(6) . ?
C49 C50 1.407(6) . ?
C50 C51 1.391(6) . ?
C50 C55 1.519(6) . ?
C51 C52 1.376(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.362(8) . ?
C52 H52 0.9500 . ?
C53 C54 1.397(6) . ?
C53 H53 0.9500 . ?
C54 C58 1.518(6) . ?
C55 C57 1.513(7) . ?
C55 C56 1.524(8) . ?
C55 H55 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C60 1.525(7) . ?
C58 C59 1.530(7) . ?
C58 H58 1.0000 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.396(6) . ?
C61 C66 1.398(6) . ?
C62 C63 1.399(6) . ?
C62 C67 1.518(7) . ?
C63 C64 1.368(7) . ?
C63 H63 0.9500 . ?
C64 C65 1.375(7) . ?
C64 H64 0.9500 . ?
C65 C66 1.400(6) . ?
C65 H65 0.9500 . ?
C66 C70 1.511(7) . ?
C67 C69 1.511(8) . ?
C67 C68 1.539(10) . ?
C67 H67 1.0000 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C72 1.509(8) . ?
C70 C71 1.535(10) . ?
C70 H70 1.0000 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 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
O2 Pt1 O1 66.52(12) . . ?
O2 Pt1 N2 173.57(11) . . ?
O1 Pt1 N2 107.06(12) . . ?
O2 Pt1 N1 107.15(12) . . ?
O1 Pt1 N1 173.62(11) . . ?
N2 Pt1 N1 79.28(12) . . ?
O2 Pt1 C73 33.16(13) . . ?
O1 Pt1 C73 33.36(13) . . ?
N2 Pt1 C73 140.42(13) . . ?
N1 Pt1 C73 140.30(13) . . ?
C73 O1 Pt1 92.3(2) . . ?
C73 O2 Pt1 92.8(2) . . ?
C1 N1 C13 123.4(3) . . ?
C1 N1 Pt1 115.6(2) . . ?
C13 N1 Pt1 120.8(2) . . ?
C2 N2 C43 122.4(3) . . ?
C2 N2 Pt1 115.8(2) . . ?
C43 N2 Pt1 121.6(2) . . ?
N1 C1 C11 137.4(3) . . ?
N1 C1 C2 114.4(3) . . ?
C11 C1 C2 108.2(3) . . ?
N2 C2 C3 137.1(3) . . ?
N2 C2 C1 114.6(3) . . ?
C3 C2 C1 108.2(3) . . ?
C4 C3 C12 119.2(4) . . ?
C4 C3 C2 135.9(4) . . ?
C12 C3 C2 104.9(3) . . ?
C3 C4 C5 118.2(4) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
C6 C5 C4 122.9(4) . . ?
C6 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
C5 C6 C7 120.4(4) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C12 C7 C6 116.7(4) . . ?
C12 C7 C8 116.3(4) . . ?
C6 C7 C8 127.0(4) . . ?
C9 C8 C7 120.5(4) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 122.7(4) . . ?
C8 C9 H9 118.6 . . ?
C10 C9 H9 118.6 . . ?
C11 C10 C9 118.3(4) . . ?
C11 C10 H10 120.9 . . ?
C9 C10 H10 120.9 . . ?
C10 C11 C12 119.0(4) . . ?
C10 C11 C1 136.3(4) . . ?
C12 C11 C1 104.6(3) . . ?
C7 C12 C11 123.2(4) . . ?
C7 C12 C3 122.7(4) . . ?
C11 C12 C3 114.1(3) . . ?
C18 C13 C14 120.9(3) . . ?
C18 C13 N1 118.1(3) . . ?
C14 C13 N1 120.8(3) . . ?
C15 C14 C13 119.5(3) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C16 119.4(3) . . ?
C14 C15 C19 119.9(3) . . ?
C16 C15 C19 120.7(3) . . ?
C17 C16 C15 121.3(3) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C18 C17 C16 118.7(3) . . ?
C18 C17 C31 119.2(3) . . ?
C16 C17 C31 122.0(3) . . ?
C13 C18 C17 120.1(3) . . ?
C13 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C24 121.3(3) . . ?
C20 C19 C15 119.6(4) . . ?
C24 C19 C15 119.2(3) . . ?
C21 C20 C19 118.1(4) . . ?
C21 C20 C25 119.3(4) . . ?
C19 C20 C25 122.6(3) . . ?
C22 C21 C20 120.7(4) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C23 C22 C21 120.7(4) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 121.0(4) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C23 C24 C19 118.3(4) . . ?
C23 C24 C28 119.4(4) . . ?
C19 C24 C28 122.4(3) . . ?
C20 C25 C27 111.4(4) . . ?
C20 C25 C26 111.3(4) . . ?
C27 C25 C26 110.3(5) . . ?
C20 C25 H25 107.9 . . ?
C27 C25 H25 107.9 . . ?
C26 C25 H25 107.9 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C28 C30 110.6(4) . . ?
C24 C28 C29 111.0(4) . . ?
C30 C28 C29 111.9(4) . . ?
C24 C28 H28 107.7 . . ?
C30 C28 H28 107.7 . . ?
C29 C28 H28 107.7 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C36 122.1(3) . . ?
C32 C31 C17 119.4(3) . . ?
C36 C31 C17 118.5(3) . . ?
C33 C32 C31 117.6(4) . . ?
C33 C32 C37 120.1(4) . . ?
C31 C32 C37 122.3(4) . . ?
C34 C33 C32 121.7(4) . . ?
C34 C33 H33 119.2 . . ?
C32 C33 H33 119.2 . . ?
C33 C34 C35 120.5(4) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C34 C35 C36 120.4(4) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C35 C36 C31 117.7(4) . . ?
C35 C36 C40 120.2(4) . . ?
C31 C36 C40 122.1(3) . . ?
C32 C37 C39 112.3(4) . . ?
C32 C37 C38 110.4(5) . . ?
C39 C37 C38 111.0(5) . . ?
C32 C37 H37 107.7 . . ?
C39 C37 H37 107.7 . . ?
C38 C37 H37 107.7 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C36 C40 C41 110.5(4) . . ?
C36 C40 C42 113.2(4) . . ?
C41 C40 C42 110.2(5) . . ?
C36 C40 H40 107.6 . . ?
C41 C40 H40 107.6 . . ?
C42 C40 H40 107.6 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C48 120.9(3) . . ?
C44 C43 N2 120.3(3) . . ?
C48 C43 N2 118.7(3) . . ?
C43 C44 C45 120.8(3) . . ?
C43 C44 H44 119.6 . . ?
C45 C44 H44 119.6 . . ?
C46 C45 C44 117.6(3) . . ?
C46 C45 C49 120.8(3) . . ?
C44 C45 C49 121.6(3) . . ?
C45 C46 C47 122.5(3) . . ?
C45 C46 H46 118.8 . . ?
C47 C46 H46 118.8 . . ?
C48 C47 C46 118.5(3) . . ?
C48 C47 C61 122.9(3) . . ?
C46 C47 C61 118.6(3) . . ?
C47 C48 C43 119.7(3) . . ?
C47 C48 H48 120.2 . . ?
C43 C48 H48 120.2 . . ?
C54 C49 C50 120.4(4) . . ?
C54 C49 C45 120.1(4) . . ?
C50 C49 C45 119.5(4) . . ?
C51 C50 C49 118.4(4) . . ?
C51 C50 C55 119.4(4) . . ?
C49 C50 C55 122.2(4) . . ?
C52 C51 C50 120.9(5) . . ?
C52 C51 H51 119.6 . . ?
C50 C51 H51 119.6 . . ?
C53 C52 C51 120.8(4) . . ?
C53 C52 H52 119.6 . . ?
C51 C52 H52 119.6 . . ?
C52 C53 C54 120.5(5) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C53 C54 C49 119.0(4) . . ?
C53 C54 C58 118.7(4) . . ?
C49 C54 C58 122.3(4) . . ?
C57 C55 C50 114.2(4) . . ?
C57 C55 C56 108.9(5) . . ?
C50 C55 C56 110.3(4) . . ?
C57 C55 H55 107.7 . . ?
C50 C55 H55 107.7 . . ?
C56 C55 H55 107.7 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C54 C58 C60 111.7(4) . . ?
C54 C58 C59 111.4(4) . . ?
C60 C58 C59 110.0(4) . . ?
C54 C58 H58 107.9 . . ?
C60 C58 H58 107.9 . . ?
C59 C58 H58 107.9 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 C66 120.9(4) . . ?
C62 C61 C47 119.3(4) . . ?
C66 C61 C47 119.8(4) . . ?
C61 C62 C63 118.6(4) . . ?
C61 C62 C67 121.7(4) . . ?
C63 C62 C67 119.6(4) . . ?
C64 C63 C62 120.7(4) . . ?
C64 C63 H63 119.6 . . ?
C62 C63 H63 119.6 . . ?
C63 C64 C65 120.7(4) . . ?
C63 C64 H64 119.6 . . ?
C65 C64 H64 119.6 . . ?
C64 C65 C66 120.4(4) . . ?
C64 C65 H65 119.8 . . ?
C66 C65 H65 119.8 . . ?
C61 C66 C65 118.6(4) . . ?
C61 C66 C70 122.5(4) . . ?
C65 C66 C70 118.9(4) . . ?
C69 C67 C62 114.5(5) . . ?
C69 C67 C68 109.8(6) . . ?
C62 C67 C68 109.2(5) . . ?
C69 C67 H67 107.7 . . ?
C62 C67 H67 107.7 . . ?
C68 C67 H67 107.7 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C72 C70 C66 112.1(5) . . ?
C72 C70 C71 110.5(6) . . ?
C66 C70 C71 110.2(5) . . ?
C72 C70 H70 108.0 . . ?
C66 C70 H70 108.0 . . ?
C71 C70 H70 108.0 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C70 C72 H72A 109.5 . . ?
C70 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C70 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
O3 C73 O2 126.1(4) . . ?
O3 C73 O1 125.6(4) . . ?
O2 C73 O1 108.4(3) . . ?
O3 C73 Pt1 179.6(4) . . ?
O2 C73 Pt1 54.02(19) . . ?
O1 C73 Pt1 54.34(19) . . ?

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
O2 Pt1 O1 C73 0.0(2) . . . . ?
N2 Pt1 O1 C73 179.7(2) . . . . ?
O1 Pt1 O2 C73 0.0(2) . . . . ?
N1 Pt1 O2 C73 179.2(2) . . . . ?
O2 Pt1 N1 C1 -176.1(2) . . . . ?
N2 Pt1 N1 C1 4.1(3) . . . . ?
C73 Pt1 N1 C1 -175.5(2) . . . . ?
O2 Pt1 N1 C13 8.3(3) . . . . ?
N2 Pt1 N1 C13 -171.5(3) . . . . ?
C73 Pt1 N1 C13 8.9(4) . . . . ?
O1 Pt1 N2 C2 176.6(2) . . . . ?
N1 Pt1 N2 C2 -2.7(3) . . . . ?
C73 Pt1 N2 C2 176.9(2) . . . . ?
O1 Pt1 N2 C43 -8.2(3) . . . . ?
N1 Pt1 N2 C43 172.5(3) . . . . ?
C73 Pt1 N2 C43 -7.9(4) . . . . ?
C13 N1 C1 C11 -11.6(6) . . . . ?
Pt1 N1 C1 C11 172.9(4) . . . . ?
C13 N1 C1 C2 170.8(3) . . . . ?
Pt1 N1 C1 C2 -4.7(4) . . . . ?
C43 N2 C2 C3 9.7(6) . . . . ?
Pt1 N2 C2 C3 -175.1(4) . . . . ?
C43 N2 C2 C1 -174.1(3) . . . . ?
Pt1 N2 C2 C1 1.0(4) . . . . ?
N1 C1 C2 N2 2.5(5) . . . . ?
C11 C1 C2 N2 -175.9(3) . . . . ?
N1 C1 C2 C3 179.7(3) . . . . ?
C11 C1 C2 C3 1.4(4) . . . . ?
N2 C2 C3 C4 -2.9(8) . . . . ?
C1 C2 C3 C4 -179.2(4) . . . . ?
N2 C2 C3 C12 174.5(4) . . . . ?
C1 C2 C3 C12 -1.8(4) . . . . ?
C12 C3 C4 C5 0.1(6) . . . . ?
C2 C3 C4 C5 177.3(4) . . . . ?
C3 C4 C5 C6 -0.3(6) . . . . ?
C4 C5 C6 C7 -0.2(7) . . . . ?
C5 C6 C7 C12 0.9(6) . . . . ?
C5 C6 C7 C8 -178.9(4) . . . . ?
C12 C7 C8 C9 -0.7(7) . . . . ?
C6 C7 C8 C9 179.1(5) . . . . ?
C7 C8 C9 C10 0.9(8) . . . . ?
C8 C9 C10 C11 -0.1(7) . . . . ?
C9 C10 C11 C12 -0.9(6) . . . . ?
C9 C10 C11 C1 -176.7(4) . . . . ?
N1 C1 C11 C10 -1.8(8) . . . . ?
C2 C1 C11 C10 175.9(4) . . . . ?
N1 C1 C11 C12 -178.1(4) . . . . ?
C2 C1 C11 C12 -0.3(4) . . . . ?
C6 C7 C12 C11 179.9(4) . . . . ?
C8 C7 C12 C11 -0.3(6) . . . . ?
C6 C7 C12 C3 -1.1(6) . . . . ?
C8 C7 C12 C3 178.7(4) . . . . ?
C10 C11 C12 C7 1.2(6) . . . . ?
C1 C11 C12 C7 178.2(4) . . . . ?
C10 C11 C12 C3 -177.9(4) . . . . ?
C1 C11 C12 C3 -0.9(4) . . . . ?
C4 C3 C12 C7 0.6(6) . . . . ?
C2 C3 C12 C7 -177.3(4) . . . . ?
C4 C3 C12 C11 179.7(3) . . . . ?
C2 C3 C12 C11 1.8(4) . . . . ?
C1 N1 C13 C18 137.1(4) . . . . ?
Pt1 N1 C13 C18 -47.6(4) . . . . ?
C1 N1 C13 C14 -49.0(5) . . . . ?
Pt1 N1 C13 C14 126.3(3) . . . . ?
C18 C13 C14 C15 -0.3(6) . . . . ?
N1 C13 C14 C15 -174.1(3) . . . . ?
C13 C14 C15 C16 -0.6(6) . . . . ?
C13 C14 C15 C19 178.0(3) . . . . ?
C14 C15 C16 C17 0.3(6) . . . . ?
C19 C15 C16 C17 -178.3(3) . . . . ?
C15 C16 C17 C18 0.9(6) . . . . ?
C15 C16 C17 C31 177.9(4) . . . . ?
C14 C13 C18 C17 1.5(6) . . . . ?
N1 C13 C18 C17 175.4(3) . . . . ?
C16 C17 C18 C13 -1.8(5) . . . . ?
C31 C17 C18 C13 -178.8(3) . . . . ?
C14 C15 C19 C20 -85.1(5) . . . . ?
C16 C15 C19 C20 93.5(4) . . . . ?
C14 C15 C19 C24 95.0(4) . . . . ?
C16 C15 C19 C24 -86.4(5) . . . . ?
C24 C19 C20 C21 0.6(6) . . . . ?
C15 C19 C20 C21 -179.3(4) . . . . ?
C24 C19 C20 C25 -179.5(4) . . . . ?
C15 C19 C20 C25 0.6(6) . . . . ?
C19 C20 C21 C22 0.0(6) . . . . ?
C25 C20 C21 C22 -179.9(4) . . . . ?
C20 C21 C22 C23 -0.6(7) . . . . ?
C21 C22 C23 C24 0.5(7) . . . . ?
C22 C23 C24 C19 0.1(7) . . . . ?
C22 C23 C24 C28 -179.7(4) . . . . ?
C20 C19 C24 C23 -0.7(6) . . . . ?
C15 C19 C24 C23 179.2(4) . . . . ?
C20 C19 C24 C28 179.1(4) . . . . ?
C15 C19 C24 C28 -1.0(6) . . . . ?
C21 C20 C25 C27 61.7(6) . . . . ?
C19 C20 C25 C27 -118.2(5) . . . . ?
C21 C20 C25 C26 -61.8(6) . . . . ?
C19 C20 C25 C26 118.3(5) . . . . ?
C23 C24 C28 C30 -67.9(5) . . . . ?
C19 C24 C28 C30 112.3(4) . . . . ?
C23 C24 C28 C29 57.0(5) . . . . ?
C19 C24 C28 C29 -122.8(4) . . . . ?
C18 C17 C31 C32 91.5(5) . . . . ?
C16 C17 C31 C32 -85.5(5) . . . . ?
C18 C17 C31 C36 -86.5(5) . . . . ?
C16 C17 C31 C36 96.5(4) . . . . ?
C36 C31 C32 C33 -1.4(6) . . . . ?
C17 C31 C32 C33 -179.3(4) . . . . ?
C36 C31 C32 C37 179.9(4) . . . . ?
C17 C31 C32 C37 2.0(6) . . . . ?
C31 C32 C33 C34 1.7(7) . . . . ?
C37 C32 C33 C34 -179.6(5) . . . . ?
C32 C33 C34 C35 -0.9(8) . . . . ?
C33 C34 C35 C36 -0.1(7) . . . . ?
C34 C35 C36 C31 0.3(6) . . . . ?
C34 C35 C36 C40 -178.5(4) . . . . ?
C32 C31 C36 C35 0.5(6) . . . . ?
C17 C31 C36 C35 178.4(4) . . . . ?
C32 C31 C36 C40 179.3(4) . . . . ?
C17 C31 C36 C40 -2.8(6) . . . . ?
C33 C32 C37 C39 50.1(7) . . . . ?
C31 C32 C37 C39 -131.2(5) . . . . ?
C33 C32 C37 C38 -74.3(7) . . . . ?
C31 C32 C37 C38 104.4(6) . . . . ?
C35 C36 C40 C41 86.0(5) . . . . ?
C31 C36 C40 C41 -92.8(5) . . . . ?
C35 C36 C40 C42 -38.2(6) . . . . ?
C31 C36 C40 C42 143.0(5) . . . . ?
C2 N2 C43 C44 54.5(5) . . . . ?
Pt1 N2 C43 C44 -120.4(3) . . . . ?
C2 N2 C43 C48 -128.0(4) . . . . ?
Pt1 N2 C43 C48 57.1(4) . . . . ?
C48 C43 C44 C45 -0.4(6) . . . . ?
N2 C43 C44 C45 177.1(3) . . . . ?
C43 C44 C45 C46 1.0(6) . . . . ?
C43 C44 C45 C49 -179.0(4) . . . . ?
C44 C45 C46 C47 -0.1(6) . . . . ?
C49 C45 C46 C47 180.0(4) . . . . ?
C45 C46 C47 C48 -1.5(6) . . . . ?
C45 C46 C47 C61 179.6(4) . . . . ?
C46 C47 C48 C43 2.1(6) . . . . ?
C61 C47 C48 C43 -179.0(4) . . . . ?
C44 C43 C48 C47 -1.3(6) . . . . ?
N2 C43 C48 C47 -178.8(3) . . . . ?
C46 C45 C49 C54 76.9(5) . . . . ?
C44 C45 C49 C54 -103.0(5) . . . . ?
C46 C45 C49 C50 -102.6(5) . . . . ?
C44 C45 C49 C50 77.5(5) . . . . ?
C54 C49 C50 C51 0.9(6) . . . . ?
C45 C49 C50 C51 -179.6(4) . . . . ?
C54 C49 C50 C55 -176.6(4) . . . . ?
C45 C49 C50 C55 2.9(6) . . . . ?
C49 C50 C51 C52 -0.5(7) . . . . ?
C55 C50 C51 C52 177.1(5) . . . . ?
C50 C51 C52 C53 -0.7(9) . . . . ?
C51 C52 C53 C54 1.4(8) . . . . ?
C52 C53 C54 C49 -0.9(7) . . . . ?
C52 C53 C54 C58 -179.8(5) . . . . ?
C50 C49 C54 C53 -0.3(6) . . . . ?
C45 C49 C54 C53 -179.8(4) . . . . ?
C50 C49 C54 C58 178.6(4) . . . . ?
C45 C49 C54 C58 -0.9(6) . . . . ?
C51 C50 C55 C57 39.7(6) . . . . ?
C49 C50 C55 C57 -142.8(5) . . . . ?
C51 C50 C55 C56 -83.3(6) . . . . ?
C49 C50 C55 C56 94.2(5) . . . . ?
C53 C54 C58 C60 66.2(6) . . . . ?
C49 C54 C58 C60 -112.7(5) . . . . ?
C53 C54 C58 C59 -57.2(6) . . . . ?
C49 C54 C58 C59 123.9(5) . . . . ?
C48 C47 C61 C62 101.2(5) . . . . ?
C46 C47 C61 C62 -79.9(5) . . . . ?
C48 C47 C61 C66 -80.9(5) . . . . ?
C46 C47 C61 C66 98.0(4) . . . . ?
C66 C61 C62 C63 -1.8(6) . . . . ?
C47 C61 C62 C63 176.1(4) . . . . ?
C66 C61 C62 C67 176.1(4) . . . . ?
C47 C61 C62 C67 -6.1(6) . . . . ?
C61 C62 C63 C64 0.3(7) . . . . ?
C67 C62 C63 C64 -177.7(5) . . . . ?
C62 C63 C64 C65 1.1(7) . . . . ?
C63 C64 C65 C66 -0.9(7) . . . . ?
C62 C61 C66 C65 2.0(6) . . . . ?
C47 C61 C66 C65 -175.9(4) . . . . ?
C62 C61 C66 C70 -178.8(4) . . . . ?
C47 C61 C66 C70 3.4(6) . . . . ?
C64 C65 C66 C61 -0.6(7) . . . . ?
C64 C65 C66 C70 -179.9(5) . . . . ?
C61 C62 C67 C69 137.1(5) . . . . ?
C63 C62 C67 C69 -45.1(7) . . . . ?
C61 C62 C67 C68 -99.4(7) . . . . ?
C63 C62 C67 C68 78.5(7) . . . . ?
C61 C66 C70 C72 125.3(5) . . . . ?
C65 C66 C70 C72 -55.4(7) . . . . ?
C61 C66 C70 C71 -111.2(6) . . . . ?
C65 C66 C70 C71 68.1(6) . . . . ?
Pt1 O2 C73 O3 -179.5(5) . . . . ?
Pt1 O1 C73 O3 179.5(5) . . . . ?
Pt1 O1 C73 O2 0.0(3) . . . . ?
N2 Pt1 C73 O2 179.5(2) . . . . ?
N1 Pt1 C73 O2 -1.1(4) . . . . ?
N2 Pt1 C73 O1 -0.5(4) . . . . ?
N1 Pt1 C73 O1 178.9(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.57
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.306
_refine_diff_density_min         -0.740
_refine_diff_density_rms         0.117

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.016 0.000 0.000 461.6 49.6
2 -0.164 -0.014 0.500 912.2 141.0
_platon_squeeze_details          
;
There are disordered solvent molecules (2.5 C6 H5 Br equivalents) 
which were removed from the structure using SQUEEZE subroutine in
PLATON. The solvent molecules have been excluded from the crystal
data as well. 
;
_database_code_depnum_ccdc_archive 'CCDC 945772'