# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_address     ?
_publ_contact_author_email       duncan.bruce@york.ac.uk
_publ_contact_author_phone       ?
_publ_contact_author_name        'Duncan W. Bruce'
loop_
_publ_author_name
D.Bruce
M.Spencer
A.Santoro
A.Diez
P.R.Murray
L.J.Yellowlees
;
J.A.G.Williams
;
A.C.Whitewood

# Attachment '- dwb1132.cif'

data_dwb1132
_database_code_depnum_ccdc_archive 'CCDC 884157'
#TrackingRef '- dwb1132.cif'

_audit_creation_date             2012-08-13
_audit_creation_method           
;
Olex2 1.1
(compiled 2011.11.01 svn.r2039, GUI svn.r3906)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         'C17 H14 F3 N O2 Pt, 0.5(C H Cl3)'
_chemical_formula_sum            'C17.50 H14.50 Cl1.50 F3 N O2 Pt'
_chemical_formula_weight         576.07
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C17 H14 O2 N1 F3 Pt1'
_chemical_oxdiff_usercomment     "Alvaro's adr58"
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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   11.988(2)
_cell_length_b                   12.8040(14)
_cell_length_c                   13.095(2)
_cell_angle_alpha                86.305(12)
_cell_angle_beta                 69.598(16)
_cell_angle_gamma                77.406(12)
_cell_volume                     1838.5(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6912
_cell_measurement_temperature    110.00(10)
_cell_measurement_theta_max      32.0717
_cell_measurement_theta_min      2.8103
_exptl_absorpt_coefficient_mu    7.890
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.793
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.081
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1092
_exptl_crystal_size_max          0.1581
_exptl_crystal_size_mid          0.1275
_exptl_crystal_size_min          0.0673
_exptl_special_details           
;
?
;
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_unetI/netI     0.0538
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17553
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.18
_diffrn_reflns_theta_min         2.82
_diffrn_ambient_temperature      110.00(10)
_diffrn_detector_area_resol_mean 16.1450
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
1 omega -43.00 52.00 1.0000 22.7400
omega____ theta____ kappa____ phi______ frames
- 26.5735 -77.0000 120.0000 95

#__ type_ start__ end____ width___ exp.time_
2 omega -44.00 -11.00 1.0000 22.7400
omega____ theta____ kappa____ phi______ frames
- 26.5735 -77.0000 0.0000 33

#__ type_ start__ end____ width___ exp.time_
3 omega -44.00 51.00 1.0000 22.7400
omega____ theta____ kappa____ phi______ frames
- 26.5735 -37.0000 0.0000 95

#__ type_ start__ end____ width___ exp.time_
4 omega 29.00 94.00 1.0000 22.7400
omega____ theta____ kappa____ phi______ frames
- 26.5735 -141.0000 41.0000 65

#__ type_ start__ end____ width___ exp.time_
5 omega -3.00 90.00 1.0000 22.7400
omega____ theta____ kappa____ phi______ frames
- 26.5735 77.0000 -120.0000 93
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0144645000
_diffrn_orient_matrix_UB_12      0.0190843000
_diffrn_orient_matrix_UB_13      0.0424220000
_diffrn_orient_matrix_UB_21      0.0222683000
_diffrn_orient_matrix_UB_22      -0.0534319000
_diffrn_orient_matrix_UB_23      0.0126833000
_diffrn_orient_matrix_UB_31      0.0588431000
_diffrn_orient_matrix_UB_32      0.0025389000
_diffrn_orient_matrix_UB_33      -0.0369374000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                9144
_reflns_number_total             11514
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     24.97
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         11.812
_refine_diff_density_min         -1.832
_refine_diff_density_rms         0.237
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         11514
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0459
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0432P)^2^+14.4974P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1141
_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.

The asymmetric unit contained a disordered chloroform which was modelled
in 3 positions with occupancies of 0.395, 0.370 and 0.235(5). For this
chloroform, the C-Cl bond lebngths were restrained to be equal, the
Cl-Cl distanced restrained to be equal and the following groups of
atoms restrained to have the same ADP: Cl1 & Cl1B. C35, C35A & C35B.
Cl2, Cl1A & Cl2B. Cl3, Cl3A & Cl3B.

The two large peaks of residual density are believed to be due to
non-merohedral twinning of the crystal although a suitable method
could not be obtained to account for this.
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.0800(8) 0.2792(8) 0.1403(7) 0.0414(19) Uani 1 1 d . . .
C2 C 0.2128(6) 0.2875(6) 0.1069(6) 0.0275(14) Uani 1 1 d . . .
C3 C 0.2962(7) 0.2217(6) 0.0271(6) 0.0276(14) Uani 1 1 d . . .
H3 H 0.266(7) 0.174(7) -0.002(7) 0.033 Uiso 1 1 d . . .
C4 C 0.4228(7) 0.2249(6) -0.0198(5) 0.0264(14) Uani 1 1 d . . .
C5 C 0.5034(7) 0.1492(7) -0.1115(6) 0.0358(17) Uani 1 1 d . . .
H5A H 0.5830 0.1689 -0.1428 0.054 Uiso 1 1 calc R . .
H5B H 0.4661 0.1531 -0.1677 0.054 Uiso 1 1 calc R . .
H5C H 0.5138 0.0761 -0.0838 0.054 Uiso 1 1 calc R . .
C6 C 0.6466(6) 0.4101(6) 0.0420(6) 0.0260(13) Uani 1 1 d . . .
H6 H 0.6520 0.3558 -0.0067 0.031 Uiso 1 1 calc R . .
C7 C 0.7505(6) 0.4461(6) 0.0332(6) 0.0272(14) Uani 1 1 d . . .
H7 H 0.8262 0.4165 -0.0205 0.033 Uiso 1 1 calc R . .
C8 C 0.7426(6) 0.5254(6) 0.1034(6) 0.0292(15) Uani 1 1 d . . .
H8 H 0.8129 0.5505 0.0993 0.035 Uiso 1 1 calc R . .
C9 C 0.6308(6) 0.5678(5) 0.1796(5) 0.0233(12) Uani 1 1 d . . .
H9 H 0.6241 0.6228 0.2281 0.028 Uiso 1 1 calc R . .
C10 C 0.5285(5) 0.5306(5) 0.1859(5) 0.0187(11) Uani 1 1 d . . .
C11 C 0.4052(6) 0.5656(5) 0.2616(5) 0.0208(12) Uani 1 1 d . . .
C12 C 0.3706(7) 0.6481(6) 0.3373(6) 0.0280(14) Uani 1 1 d . . .
H12 H 0.4285 0.6866 0.3411 0.034 Uiso 1 1 calc R . .
C13 C 0.2501(7) 0.6743(6) 0.4079(6) 0.0293(14) Uani 1 1 d . . .
H13 H 0.2263 0.7309 0.4595 0.035 Uiso 1 1 calc R . .
C14 C 0.1639(6) 0.6180(6) 0.4034(6) 0.0277(14) Uani 1 1 d . . .
C15 C 0.1995(6) 0.5358(5) 0.3260(6) 0.0240(13) Uani 1 1 d . . .
H15 H 0.1413 0.4975 0.3227 0.029 Uiso 1 1 calc R . .
C16 C 0.3184(6) 0.5090(5) 0.2539(5) 0.0195(11) Uani 1 1 d . . .
C17 C 0.0355(7) 0.6466(7) 0.4789(7) 0.0379(18) Uani 1 1 d . . .
H17A H 0.0041 0.7236 0.4747 0.057 Uiso 1 1 calc R . .
H17B H 0.0323 0.6287 0.5537 0.057 Uiso 1 1 calc R . .
H17C H -0.0143 0.6065 0.4581 0.057 Uiso 1 1 calc R . .
F8 F 0.0608(5) 0.1950(5) 0.0999(5) 0.0629(17) Uani 1 1 d . . .
F10 F 0.0176(5) 0.3639(5) 0.1022(6) 0.0688(18) Uani 1 1 d . . .
F11 F 0.0250(5) 0.2816(6) 0.2463(5) 0.074(2) Uani 1 1 d . . .
N1 N 0.5385(5) 0.4500(4) 0.1177(4) 0.0186(10) Uani 1 1 d . . .
O1 O 0.2244(4) 0.3604(4) 0.1629(4) 0.0259(10) Uani 1 1 d . . .
O2 O 0.4725(4) 0.2876(4) 0.0108(4) 0.0244(9) Uani 1 1 d . . .
Pt1 Pt 0.38586(2) 0.400035(18) 0.136959(18) 0.01775(6) Uani 1 1 d . . .
C18 C 0.3139(7) -0.0841(6) 0.8721(6) 0.0311(15) Uani 1 1 d . . .
C19 C 0.4127(6) -0.0603(5) 0.7681(5) 0.0222(12) Uani 1 1 d . . .
C20 C 0.5199(7) -0.1350(5) 0.7307(5) 0.0257(13) Uani 1 1 d . . .
H20 H 0.5248 -0.2015 0.7673 0.031 Uiso 1 1 calc R . .
C21 C 0.6245(6) -0.1199(5) 0.6410(6) 0.0235(13) Uani 1 1 d . . .
C22 C 0.7356(7) -0.2083(6) 0.6113(6) 0.0298(15) Uani 1 1 d . . .
H22A H 0.7969 -0.1893 0.6362 0.045 Uiso 1 1 calc R . .
H22B H 0.7687 -0.2187 0.5320 0.045 Uiso 1 1 calc R . .
H22C H 0.7140 -0.2746 0.6462 0.045 Uiso 1 1 calc R . .
C23 C 0.6995(6) 0.1351(6) 0.4131(6) 0.0269(13) Uani 1 1 d . . .
H23 H 0.7365 0.0634 0.4228 0.032 Uiso 1 1 calc R . .
C24 C 0.7635(7) 0.1947(6) 0.3306(6) 0.0328(16) Uani 1 1 d . . .
H24 H 0.8437 0.1648 0.2842 0.039 Uiso 1 1 calc R . .
C25 C 0.7086(6) 0.2980(6) 0.3172(6) 0.0272(14) Uani 1 1 d . . .
H25 H 0.7525 0.3407 0.2623 0.033 Uiso 1 1 calc R . .
C26 C 0.5906(7) 0.3411(6) 0.3821(6) 0.0306(15) Uani 1 1 d . . .
H26 H 0.5520 0.4116 0.3704 0.037 Uiso 1 1 calc R . .
C27 C 0.5288(6) 0.2785(5) 0.4659(5) 0.0238(13) Uani 1 1 d . . .
C28 C 0.4059(6) 0.3102(5) 0.5429(5) 0.0233(13) Uani 1 1 d . . .
C29 C 0.3286(7) 0.4099(5) 0.5467(6) 0.0276(14) Uani 1 1 d . . .
H29 H 0.3549 0.4631 0.4954 0.033 Uiso 1 1 calc R . .
C30 C 0.2137(7) 0.4309(5) 0.6253(6) 0.0291(14) Uani 1 1 d . . .
H30 H 0.1619 0.4993 0.6284 0.035 Uiso 1 1 calc R . .
C31 C 0.1730(6) 0.3528(6) 0.7000(6) 0.0279(14) Uani 1 1 d . . .
C32 C 0.2508(6) 0.2536(5) 0.6963(6) 0.0237(13) Uani 1 1 d . . .
H32 H 0.2235 0.2007 0.7476 0.028 Uiso 1 1 calc R . .
C33 C 0.3669(6) 0.2305(5) 0.6197(5) 0.0223(12) Uani 1 1 d . . .
C34 C 0.0482(6) 0.3753(6) 0.7838(7) 0.0339(16) Uani 1 1 d . . .
H34A H -0.0077 0.3487 0.7574 0.051 Uiso 1 1 calc R . .
H34B H 0.0204 0.4526 0.7972 0.051 Uiso 1 1 calc R . .
H34C H 0.0502 0.3392 0.8516 0.051 Uiso 1 1 calc R . .
F4 F 0.3183(4) -0.1874(3) 0.8905(4) 0.0371(10) Uani 1 1 d . . .
F6 F 0.2033(4) -0.0394(4) 0.8712(4) 0.0472(13) Uani 1 1 d . . .
F7 F 0.3258(5) -0.0418(4) 0.9587(4) 0.0493(13) Uani 1 1 d . . .
N2 N 0.5859(5) 0.1762(4) 0.4800(4) 0.0214(10) Uani 1 1 d . . .
O3 O 0.3814(4) 0.0334(4) 0.7330(4) 0.0244(9) Uani 1 1 d . . .
O4 O 0.6319(4) -0.0367(4) 0.5840(4) 0.0247(9) Uani 1 1 d . . .
Pt2 Pt 0.49062(2) 0.097863(17) 0.604518(18) 0.01833(6) Uani 1 1 d . . .
C35 C 0.0975(9) 0.9211(17) 0.223(2) 0.064(5) Uiso 0.40 1 d PD A -1
H35 H 0.0847 0.9716 0.1649 0.077 Uiso 0.40 1 calc PR A -1
C35A C 0.1070(19) 0.917(3) 0.3112(8) 0.064(5) Uiso 0.37 1 d PD B -2
H35A H 0.1597 0.8433 0.3043 0.077 Uiso 0.37 1 calc PR B -2
C35B C 0.102(2) 0.875(4) 0.2878(12) 0.064(5) Uiso 0.23 1 d PD C -3
H35B H 0.1350 0.7977 0.2990 0.077 Uiso 0.23 1 calc PR C -3
Cl1 Cl 0.1839(7) 0.7937(6) 0.1660(7) 0.0755(18) Uiso 0.40 1 d PD A -1
Cl1A Cl 0.1863(7) 1.0148(7) 0.2290(6) 0.0689(13) Uiso 0.37 1 d PD B -2
Cl1B Cl 0.1198(12) 0.8830(12) 0.1510(9) 0.0755(18) Uiso 0.23 1 d PD C -3
Cl2 Cl 0.1799(7) 0.9704(6) 0.2928(7) 0.0689(13) Uiso 0.40 1 d PD A -1
Cl2A Cl 0.0489(8) 0.9710(8) 0.4486(6) 0.081(2) Uiso 0.37 1 d PD B -2
Cl2B Cl 0.1895(11) 0.9448(11) 0.3264(10) 0.0689(13) Uiso 0.23 1 d PD C -3
Cl3 Cl -0.0453(7) 0.9026(8) 0.3190(8) 0.0751(15) Uiso 0.40 1 d PD A -1
Cl3A Cl -0.0251(8) 0.9215(8) 0.2731(7) 0.0751(15) Uiso 0.37 1 d PD B -2
Cl3B Cl -0.0486(10) 0.8987(12) 0.3737(11) 0.0751(15) Uiso 0.23 1 d PD C -3

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 0.041(4) 0.051(5) 0.043(5) -0.005(4) -0.017(4) -0.024(4)
C2 0.030(3) 0.026(3) 0.034(4) 0.005(3) -0.016(3) -0.014(3)
C3 0.038(4) 0.026(3) 0.026(3) 0.002(3) -0.015(3) -0.017(3)
C4 0.040(4) 0.027(3) 0.021(3) 0.003(2) -0.018(3) -0.014(3)
C5 0.038(4) 0.038(4) 0.032(4) -0.010(3) -0.010(3) -0.011(3)
C6 0.029(3) 0.026(3) 0.026(3) 0.007(3) -0.013(3) -0.007(3)
C7 0.025(3) 0.028(3) 0.029(3) 0.006(3) -0.010(3) -0.007(3)
C8 0.025(3) 0.033(4) 0.035(4) 0.012(3) -0.014(3) -0.014(3)
C9 0.027(3) 0.023(3) 0.025(3) 0.004(2) -0.013(3) -0.008(3)
C10 0.021(3) 0.016(3) 0.022(3) 0.006(2) -0.010(2) -0.006(2)
C11 0.024(3) 0.018(3) 0.023(3) 0.002(2) -0.013(3) -0.003(2)
C12 0.035(4) 0.028(3) 0.029(3) 0.000(3) -0.017(3) -0.013(3)
C13 0.034(4) 0.024(3) 0.031(4) -0.009(3) -0.016(3) 0.002(3)
C14 0.024(3) 0.028(3) 0.029(3) -0.003(3) -0.011(3) 0.001(3)
C15 0.025(3) 0.023(3) 0.029(3) 0.003(2) -0.015(3) -0.005(2)
C16 0.023(3) 0.018(3) 0.020(3) 0.001(2) -0.012(2) -0.002(2)
C17 0.029(4) 0.038(4) 0.040(4) -0.014(3) -0.009(3) 0.007(3)
F8 0.044(3) 0.066(4) 0.086(4) -0.029(3) -0.014(3) -0.031(3)
F10 0.036(3) 0.077(4) 0.103(5) -0.008(4) -0.035(3) -0.008(3)
F11 0.054(3) 0.130(6) 0.043(3) -0.013(4) 0.006(3) -0.060(4)
N1 0.024(3) 0.017(2) 0.018(2) 0.0056(19) -0.010(2) -0.006(2)
O1 0.028(2) 0.024(2) 0.031(2) 0.0002(19) -0.014(2) -0.0093(19)
O2 0.028(2) 0.025(2) 0.024(2) -0.0001(18) -0.0102(19) -0.0109(19)
Pt1 0.02219(12) 0.01637(11) 0.01811(11) 0.00297(8) -0.01008(9) -0.00659(9)
C18 0.045(4) 0.024(3) 0.022(3) 0.004(3) -0.008(3) -0.008(3)
C19 0.030(3) 0.020(3) 0.021(3) 0.005(2) -0.014(3) -0.009(2)
C20 0.038(4) 0.018(3) 0.027(3) 0.005(2) -0.018(3) -0.007(3)
C21 0.029(3) 0.015(3) 0.030(3) -0.003(2) -0.016(3) -0.002(2)
C22 0.030(4) 0.025(3) 0.029(3) 0.000(3) -0.012(3) 0.008(3)
C23 0.032(3) 0.024(3) 0.027(3) 0.000(3) -0.012(3) -0.007(3)
C24 0.036(4) 0.039(4) 0.025(3) 0.002(3) -0.008(3) -0.015(3)
C25 0.022(3) 0.030(3) 0.025(3) 0.002(3) 0.002(3) -0.012(3)
C26 0.045(4) 0.024(3) 0.028(3) 0.009(3) -0.019(3) -0.011(3)
C27 0.034(3) 0.022(3) 0.025(3) 0.006(2) -0.017(3) -0.013(3)
C28 0.032(3) 0.020(3) 0.026(3) 0.005(2) -0.018(3) -0.009(3)
C29 0.038(4) 0.021(3) 0.031(3) 0.007(3) -0.020(3) -0.008(3)
C30 0.038(4) 0.018(3) 0.034(4) -0.003(3) -0.021(3) 0.001(3)
C31 0.028(3) 0.025(3) 0.034(4) -0.002(3) -0.018(3) -0.002(3)
C32 0.026(3) 0.019(3) 0.029(3) 0.002(2) -0.013(3) -0.007(2)
C33 0.030(3) 0.021(3) 0.026(3) 0.004(2) -0.019(3) -0.010(2)
C34 0.025(3) 0.031(4) 0.048(4) -0.006(3) -0.019(3) 0.002(3)
F4 0.047(3) 0.021(2) 0.038(2) 0.0070(18) -0.008(2) -0.0099(19)
F6 0.035(3) 0.047(3) 0.044(3) 0.022(2) -0.001(2) -0.004(2)
F7 0.075(4) 0.049(3) 0.027(2) -0.001(2) -0.011(2) -0.032(3)
N2 0.029(3) 0.019(2) 0.022(2) 0.004(2) -0.014(2) -0.009(2)
O3 0.029(2) 0.021(2) 0.025(2) 0.0069(18) -0.013(2) -0.0052(19)
O4 0.030(2) 0.020(2) 0.026(2) 0.0003(18) -0.014(2) -0.0028(18)
Pt2 0.02397(12) 0.01489(11) 0.02029(11) 0.00380(8) -0.01222(9) -0.00593(9)

_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 C2 1.522(10) . ?
C1 F8 1.327(10) . ?
C1 F10 1.350(11) . ?
C1 F11 1.312(10) . ?
C2 C3 1.348(11) . ?
C2 O1 1.283(8) . ?
C3 C4 1.434(10) . ?
C4 C5 1.499(10) . ?
C4 O2 1.256(8) . ?
C6 C7 1.385(9) . ?
C6 N1 1.343(9) . ?
C7 C8 1.379(10) . ?
C8 C9 1.381(10) . ?
C9 C10 1.384(8) . ?
C10 C11 1.454(9) . ?
C10 N1 1.367(8) . ?
C11 C12 1.389(9) . ?
C11 C16 1.424(8) . ?
C12 C13 1.397(10) . ?
C13 C14 1.401(10) . ?
C14 C15 1.398(10) . ?
C14 C17 1.491(10) . ?
C15 C16 1.390(9) . ?
C16 Pt1 1.967(6) . ?
N1 Pt1 1.997(5) . ?
O1 Pt1 2.017(5) . ?
O2 Pt1 2.083(5) . ?
C18 C19 1.527(10) . ?
C18 F4 1.321(8) . ?
C18 F6 1.329(9) . ?
C18 F7 1.351(8) . ?
C19 C20 1.376(10) . ?
C19 O3 1.282(7) . ?
C20 C21 1.428(10) . ?
C21 C22 1.498(9) . ?
C21 O4 1.262(8) . ?
C23 C24 1.381(10) . ?
C23 N2 1.347(9) . ?
C24 C25 1.374(11) . ?
C25 C26 1.382(10) . ?
C26 C27 1.404(9) . ?
C27 C28 1.452(10) . ?
C27 N2 1.372(8) . ?
C28 C29 1.397(9) . ?
C28 C33 1.421(9) . ?
C29 C30 1.384(11) . ?
C30 C31 1.397(10) . ?
C31 C32 1.395(9) . ?
C31 C34 1.494(10) . ?
C32 C33 1.384(10) . ?
C33 Pt2 1.965(7) . ?
N2 Pt2 1.990(5) . ?
O3 Pt2 1.996(5) . ?
O4 Pt2 2.093(5) . ?
C35 Cl1 1.782(13) . ?
C35 Cl2 1.782(13) . ?
C35 Cl3 1.789(13) . ?
C35A Cl1A 1.810(15) . ?
C35A Cl2A 1.812(15) . ?
C35A Cl3A 1.807(15) . ?
C35B Cl1B 1.728(16) . ?
C35B Cl2B 1.733(16) . ?
C35B Cl3B 1.733(16) . ?

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
F8 C1 C2 115.2(8) . . ?
F8 C1 F10 104.1(7) . . ?
F10 C1 C2 109.8(7) . . ?
F11 C1 C2 113.0(7) . . ?
F11 C1 F8 108.4(7) . . ?
F11 C1 F10 105.6(8) . . ?
C3 C2 C1 118.4(6) . . ?
O1 C2 C1 110.8(7) . . ?
O1 C2 C3 130.9(6) . . ?
C2 C3 C4 125.4(6) . . ?
C3 C4 C5 119.1(6) . . ?
O2 C4 C3 124.3(7) . . ?
O2 C4 C5 116.6(7) . . ?
N1 C6 C7 121.6(7) . . ?
C8 C7 C6 119.2(7) . . ?
C7 C8 C9 119.0(6) . . ?
C8 C9 C10 120.4(6) . . ?
C9 C10 C11 127.3(6) . . ?
N1 C10 C9 119.9(6) . . ?
N1 C10 C11 112.8(5) . . ?
C12 C11 C10 124.0(6) . . ?
C12 C11 C16 120.6(6) . . ?
C16 C11 C10 115.4(6) . . ?
C11 C12 C13 119.5(6) . . ?
C12 C13 C14 120.8(6) . . ?
C13 C14 C17 120.3(7) . . ?
C15 C14 C13 119.1(6) . . ?
C15 C14 C17 120.5(7) . . ?
C16 C15 C14 121.3(6) . . ?
C11 C16 Pt1 113.6(5) . . ?
C15 C16 C11 118.6(6) . . ?
C15 C16 Pt1 127.8(5) . . ?
C6 N1 C10 119.8(5) . . ?
C6 N1 Pt1 123.8(4) . . ?
C10 N1 Pt1 116.3(4) . . ?
C2 O1 Pt1 122.4(5) . . ?
C4 O2 Pt1 125.6(5) . . ?
C16 Pt1 N1 81.8(2) . . ?
C16 Pt1 O1 93.9(2) . . ?
C16 Pt1 O2 174.9(2) . . ?
N1 Pt1 O1 175.5(2) . . ?
N1 Pt1 O2 93.0(2) . . ?
O1 Pt1 O2 91.21(19) . . ?
F4 C18 C19 113.7(6) . . ?
F4 C18 F6 108.0(6) . . ?
F4 C18 F7 107.2(6) . . ?
F6 C18 C19 111.6(6) . . ?
F6 C18 F7 106.7(6) . . ?
F7 C18 C19 109.4(6) . . ?
C20 C19 C18 118.4(6) . . ?
O3 C19 C18 111.2(6) . . ?
O3 C19 C20 130.3(6) . . ?
C19 C20 C21 124.8(6) . . ?
C20 C21 C22 118.5(6) . . ?
O4 C21 C20 125.1(6) . . ?
O4 C21 C22 116.3(6) . . ?
N2 C23 C24 121.6(7) . . ?
C25 C24 C23 118.5(7) . . ?
C24 C25 C26 121.2(6) . . ?
C25 C26 C27 118.6(7) . . ?
C26 C27 C28 126.6(6) . . ?
N2 C27 C26 119.5(7) . . ?
N2 C27 C28 113.9(5) . . ?
C29 C28 C27 125.4(6) . . ?
C29 C28 C33 120.1(7) . . ?
C33 C28 C27 114.5(6) . . ?
C30 C29 C28 119.9(6) . . ?
C29 C30 C31 120.7(6) . . ?
C30 C31 C34 120.6(6) . . ?
C32 C31 C30 119.2(7) . . ?
C32 C31 C34 120.2(7) . . ?
C33 C32 C31 121.5(6) . . ?
C28 C33 Pt2 114.0(5) . . ?
C32 C33 C28 118.5(6) . . ?
C32 C33 Pt2 127.4(5) . . ?
C23 N2 C27 120.5(6) . . ?
C23 N2 Pt2 124.0(4) . . ?
C27 N2 Pt2 115.5(5) . . ?
C19 O3 Pt2 123.3(4) . . ?
C21 O4 Pt2 124.8(4) . . ?
C33 Pt2 N2 82.1(2) . . ?
C33 Pt2 O3 91.9(2) . . ?
C33 Pt2 O4 175.9(2) . . ?
N2 Pt2 O3 174.0(2) . . ?
N2 Pt2 O4 94.4(2) . . ?
O3 Pt2 O4 91.59(19) . . ?
Cl1 C35 Cl2 107.5(11) . . ?
Cl1 C35 Cl3 108.1(11) . . ?
Cl2 C35 Cl3 109.4(11) . . ?
Cl1A C35A Cl2A 104.4(12) . . ?
Cl3A C35A Cl1A 106.4(12) . . ?
Cl3A C35A Cl2A 105.8(12) . . ?
Cl1B C35B Cl2B 114.4(16) . . ?
Cl1B C35B Cl3B 113.9(16) . . ?
Cl2B C35B Cl3B 112.8(15) . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-15 0 0 0.0220 -15.0000 -0.0000 -0.0000 -0.2170 -0.3340 -0.8826
1 -15 9 0.0617 1.0000 -15.0000 9.0000 0.1100 0.9379 -0.3117
14 -3 -2 0.0352 14.0000 -3.0000 -2.0000 0.0604 0.4467 0.8901
2 15 -10 0.0616 2.0000 15.0000 -10.0000 -0.1090 -0.8838 0.5251
-12 -5 8 0.0348 -12.0000 -5.0000 8.0000 0.0704 0.1014 -1.0143
-8 -3 13 0.0448 -8.0000 -3.0000 13.0000 0.3785 0.1470 -0.9585
-9 -1 -18 0.0679 -9.0000 -1.0000 -18.0000 -0.9129 -0.3753 0.1327
9 12 15 0.0721 9.0000 12.0000 15.0000 0.9955 -0.2505 0.0060
-3 -9 -16 0.0682 -3.0000 -9.0000 -16.0000 -0.8939 0.2112 0.3916
1 16 8 0.0717 1.0000 16.0000 8.0000 0.6592 -0.7312 -0.1960
12 2 -7 0.0496 12.0000 2.0000 -7.0000 -0.0852 0.0716 0.9698
-8 -17 -4 0.0910 -8.0000 -17.0000 -4.0000 -0.6098 0.6795 -0.3662
9 -9 13 0.0689 9.0000 -9.0000 13.0000 0.5099 0.8462 0.0266
-7 -8 12 0.0492 -7.0000 -8.0000 12.0000 0.2551 0.4238 -0.8755
-9 9 -13 0.0542 -9.0000 9.0000 -13.0000 -0.5099 -0.8462 -0.0266
13 3 -7 0.0443 13.0000 3.0000 -7.0000 -0.0517 0.0404 1.0311
-13 -2 7 0.0313 -13.0000 -2.0000 7.0000 0.0707 -0.0938 -1.0286
15 11 7 0.0651 15.0000 11.0000 7.0000 0.7238 -0.1649 0.6520
11 15 0 0.0614 11.0000 15.0000 -0.0000 0.4454 -0.5565 0.6854
9 -7 -9 0.0505 9.0000 -7.0000 -9.0000 -0.3852 0.4603 0.8443
15 1 -2 0.0430 15.0000 1.0000 -2.0000 0.1512 0.2552 0.9591


data_dwb0916m
_database_code_depnum_ccdc_archive 'CCDC 885300'
#TrackingRef '- dwb0916m.cif'

_audit_creation_date             2012-08-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2012.05.09 svn.r2324, GUI svn.r4230)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         'C36 H47 N O4 Pt'
_chemical_formula_sum            'C36 H47 N O4 Pt'
_chemical_formula_weight         752.84
_chemical_melting_point          ?
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.1603(11)
_cell_length_b                   12.8623(11)
_cell_length_c                   38.458(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.993(2)
_cell_angle_gamma                90.00
_cell_volume                     6494.0(9)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6920
_cell_measurement_temperature    110
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.22
_exptl_absorpt_coefficient_mu    4.360
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.750921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.0774 before and 0.0348 after correction.
The Ratio of minimum to maximum transmission is 0.7509.
The \l/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             3040
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
The data collection nominally covered a full sphere of reciprocal space by
a combination of 3 sets of \w scans each set at different \f and/or
2\q angles and each scan (10 s exposure) covering -0.300\% degrees in \w.
The crystal to detector distance was 4.967 cm.
;
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0367
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            49929
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.60
_diffrn_ambient_temperature      110
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_target            MO
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                9816
_reflns_number_total             11460
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         2.949
_refine_diff_density_min         -3.041
_refine_diff_density_rms         0.147
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     785
_refine_ls_number_reflns         11460
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0418
_refine_ls_restrained_S_all      1.117
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0239P)^2^+53.0316P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0907
_refine_ls_wR_factor_ref         0.0947
_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.

One methyl of the heptan3,5-dione ligands was disordered and modelled in
two positions with occupancies of 0.581:0.409(15). The C-C distance from
this methyl to the adjacent methylene was restrained to be 1.52 angstroms.
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.6295(5) 0.5517(5) 0.31513(19) 0.0248(15) Uani 1 1 d . . .
C2 C 0.6859(5) 0.5521(5) 0.34668(18) 0.0244(15) Uani 1 1 d . . .
H2 H 0.740(6) 0.513(6) 0.3487(18) 0.029 Uiso 1 1 d . . .
C3 C 0.6517(5) 0.6040(5) 0.37504(18) 0.0270(15) Uani 1 1 d . . .
C4 C 0.5598(5) 0.6584(6) 0.37207(18) 0.0295(16) Uani 1 1 d . . .
H4 H 0.541(6) 0.692(6) 0.393(2) 0.035 Uiso 1 1 d . . .
C5 C 0.5031(6) 0.6602(6) 0.34086(19) 0.0302(16) Uani 1 1 d . . .
H5 H 0.447(6) 0.700(6) 0.3389(19) 0.036 Uiso 1 1 d . . .
C6 C 0.5353(5) 0.6063(5) 0.31180(17) 0.0225(14) Uani 1 1 d . . .
C7 C 0.4838(5) 0.6036(5) 0.27721(18) 0.0228(14) Uani 1 1 d . . .
C8 C 0.3919(5) 0.6531(5) 0.2668(2) 0.0281(16) Uani 1 1 d . . .
H8 H 0.361(6) 0.689(6) 0.2865(19) 0.034 Uiso 1 1 d . . .
C9 C 0.3521(4) 0.6497(4) 0.23266(14) 0.0088(11) Uani 1 1 d U . .
H9 H 0.293(5) 0.669(5) 0.2237(15) 0.011 Uiso 1 1 d . . .
C10 C 0.4073(5) 0.5956(5) 0.20795(18) 0.0247(15) Uani 1 1 d . . .
C11 C 0.4968(5) 0.5450(5) 0.22037(18) 0.0222(14) Uani 1 1 d . . .
H11 H 0.5326 0.5053 0.2044 0.027 Uiso 1 1 calc R . .
C12 C 0.3742(5) 0.5931(5) 0.17009(18) 0.0243(15) Uani 1 1 d . . .
C13 C 0.3088(6) 0.6702(6) 0.1556(2) 0.0339(17) Uani 1 1 d . . .
H13 H 0.2859 0.7234 0.1703 0.041 Uiso 1 1 calc R . .
C14 C 0.2765(6) 0.6715(6) 0.1206(2) 0.0364(18) Uani 1 1 d . . .
H14 H 0.2305 0.7236 0.1118 0.044 Uiso 1 1 calc R . .
C15 C 0.3115(5) 0.5966(6) 0.09843(18) 0.0288(16) Uani 1 1 d . . .
C16 C 0.3763(5) 0.5195(6) 0.11231(19) 0.0303(16) Uani 1 1 d . . .
H16 H 0.3999 0.4670 0.0974 0.036 Uiso 1 1 calc R . .
C17 C 0.4067(5) 0.5180(5) 0.14710(19) 0.0273(15) Uani 1 1 d . . .
H17 H 0.4511 0.4644 0.1558 0.033 Uiso 1 1 calc R . .
C18 C 0.8039(5) 0.5646(6) 0.41136(19) 0.0337(17) Uani 1 1 d . . .
H18A H 0.8501 0.6072 0.3979 0.040 Uiso 1 1 calc R . .
H18B H 0.8046 0.4924 0.4024 0.040 Uiso 1 1 calc R . .
C19 C 0.8386(6) 0.5665(6) 0.44964(19) 0.0338(17) Uani 1 1 d . . .
H19A H 0.8252 0.6362 0.4593 0.041 Uiso 1 1 calc R . .
H19B H 0.9129 0.5541 0.4523 0.041 Uiso 1 1 calc R . .
C20 C 0.7845(6) 0.4849(7) 0.4702(2) 0.043(2) Uani 1 1 d . . .
H20A H 0.7891 0.4173 0.4581 0.052 Uiso 1 1 calc R . .
H20B H 0.7115 0.5036 0.4700 0.052 Uiso 1 1 calc R . .
C21 C 0.8261(7) 0.4714(7) 0.5082(2) 0.051(2) Uani 1 1 d . . .
H21A H 0.7944 0.4091 0.5180 0.061 Uiso 1 1 calc R . .
H21B H 0.9004 0.4591 0.5087 0.061 Uiso 1 1 calc R . .
C22 C 0.8066(7) 0.5629(7) 0.5306(2) 0.050(2) Uani 1 1 d . . .
H22A H 0.7323 0.5756 0.5300 0.060 Uiso 1 1 calc R . .
H22B H 0.8389 0.6251 0.5210 0.060 Uiso 1 1 calc R . .
C23 C 0.8484(8) 0.5474(8) 0.5691(2) 0.061(3) Uani 1 1 d . . .
H23A H 0.8144 0.4879 0.5791 0.092 Uiso 1 1 calc R . .
H23B H 0.8352 0.6101 0.5825 0.092 Uiso 1 1 calc R . .
H23C H 0.9219 0.5346 0.5698 0.092 Uiso 1 1 calc R . .
C24 C 0.2159(6) 0.6675(6) 0.04893(19) 0.0369(18) Uani 1 1 d . . .
H24A H 0.2380 0.7381 0.0564 0.044 Uiso 1 1 calc R . .
H24B H 0.1479 0.6542 0.0575 0.044 Uiso 1 1 calc R . .
C25 C 0.2103(6) 0.6604(6) 0.0096(2) 0.0358(18) Uani 1 1 d . . .
H25A H 0.1674 0.7182 0.0000 0.043 Uiso 1 1 calc R . .
H25B H 0.2796 0.6705 0.0017 0.043 Uiso 1 1 calc R . .
C26 C 0.1683(6) 0.5599(6) -0.00549(19) 0.0340(17) Uani 1 1 d . . .
H26A H 0.1040 0.5433 0.0052 0.041 Uiso 1 1 calc R . .
H26B H 0.2173 0.5033 0.0005 0.041 Uiso 1 1 calc R . .
C27 C 0.1478(6) 0.5645(7) -0.04516(19) 0.0365(18) Uani 1 1 d . . .
H27A H 0.0985 0.6211 -0.0509 0.044 Uiso 1 1 calc R . .
H27B H 0.2121 0.5825 -0.0557 0.044 Uiso 1 1 calc R . .
C28 C 0.1068(7) 0.4652(7) -0.0616(2) 0.047(2) Uani 1 1 d . . .
H28A H 0.0459 0.4437 -0.0497 0.056 Uiso 1 1 calc R . .
H28B H 0.1588 0.4100 -0.0577 0.056 Uiso 1 1 calc R . .
C29 C 0.0781(8) 0.4732(8) -0.1005(2) 0.060(3) Uani 1 1 d . . .
H29A H 0.0270 0.5281 -0.1048 0.091 Uiso 1 1 calc R . .
H29B H 0.0499 0.4067 -0.1091 0.091 Uiso 1 1 calc R . .
H29C H 0.1388 0.4900 -0.1128 0.091 Uiso 1 1 calc R . .
C30 C 0.9646(6) 0.3821(6) 0.3370(2) 0.0361(18) Uani 1 1 d . . .
H30A H 0.9823 0.4550 0.3332 0.054 Uiso 1 1 calc R . .
H30B H 1.0203 0.3479 0.3509 0.054 Uiso 1 1 calc R . .
H30C H 0.9023 0.3786 0.3495 0.054 Uiso 1 1 calc R . .
C31 C 0.9475(5) 0.3280(5) 0.30243(18) 0.0281(16) Uani 1 1 d . . .
H31A H 0.9376 0.2529 0.3067 0.034 Uiso 1 1 calc R . .
H31B H 1.0097 0.3356 0.2896 0.034 Uiso 1 1 calc R . .
C32 C 0.8562(5) 0.3682(5) 0.27924(18) 0.0253(15) Uani 1 1 d . . .
C33 C 0.8499(6) 0.3329(6) 0.24451(19) 0.0323(16) Uani 1 1 d U . .
H33 H 0.8981 0.2828 0.2379 0.039 Uiso 1 1 calc R . .
C34 C 0.7755(5) 0.3682(6) 0.21891(19) 0.0270(15) Uani 1 1 d . . .
C35 C 0.7874(6) 0.3314(7) 0.18188(19) 0.0401(19) Uani 1 1 d . . .
H35A H 0.8492 0.3645 0.1736 0.048 Uiso 1 1 calc R . .
H35B H 0.7998 0.2555 0.1826 0.048 Uiso 1 1 calc R . .
C36 C 0.7015(6) 0.3517(6) 0.15558(19) 0.0360(18) Uani 1 1 d . . .
H36A H 0.6396 0.3182 0.1630 0.054 Uiso 1 1 calc R . .
H36B H 0.7180 0.3234 0.1330 0.054 Uiso 1 1 calc R . .
H36C H 0.6902 0.4268 0.1535 0.054 Uiso 1 1 calc R . .
N1 N 0.5343(4) 0.5496(4) 0.25321(14) 0.0209(12) Uani 1 1 d . . .
O1 O 0.7020(4) 0.6060(4) 0.40758(12) 0.0352(12) Uani 1 1 d . . .
O2 O 0.2872(4) 0.5919(4) 0.06315(13) 0.0329(12) Uani 1 1 d . . .
O3 O 0.7930(3) 0.4249(3) 0.29473(12) 0.0228(10) Uani 1 1 d . . .
O4 O 0.6944(3) 0.4209(3) 0.22323(12) 0.0243(10) Uani 1 1 d . . .
Pt1 Pt 0.664028(18) 0.483591(19) 0.271537(7) 0.01965(7) Uani 1 1 d . . .
C37 C 0.6389(5) 0.7266(5) 0.81043(17) 0.0209(14) Uani 1 1 d . A .
C38 C 0.7029(5) 0.7148(5) 0.84015(17) 0.0227(14) Uani 1 1 d . . .
H38 H 0.7653 0.6782 0.8390 0.027 Uiso 1 1 calc R . .
C39 C 0.6769(5) 0.7561(6) 0.87189(18) 0.0274(15) Uani 1 1 d . . .
C40 C 0.5866(5) 0.8121(5) 0.87395(17) 0.0253(15) Uani 1 1 d . . .
H40 H 0.5696 0.8410 0.8955 0.030 Uiso 1 1 calc R . .
C41 C 0.5223(5) 0.8252(5) 0.84443(18) 0.0259(15) Uani 1 1 d . . .
H41 H 0.4607 0.8632 0.8457 0.031 Uiso 1 1 calc R . .
C42 C 0.5471(5) 0.7832(5) 0.81270(18) 0.0210(14) Uani 1 1 d . . .
C43 C 0.4826(5) 0.7913(5) 0.78070(17) 0.0212(14) Uani 1 1 d . . .
C44 C 0.3897(5) 0.8397(5) 0.77484(17) 0.0243(15) Uani 1 1 d . . .
H44 H 0.3605 0.8760 0.7932 0.029 Uiso 1 1 calc R . .
C45 C 0.3391(5) 0.8356(5) 0.74234(16) 0.0215(14) Uani 1 1 d U . .
H45 H 0.2736 0.8665 0.7391 0.026 Uiso 1 1 calc R . .
C46 C 0.3792(5) 0.7890(5) 0.71451(17) 0.0211(14) Uani 1 1 d . . .
C47 C 0.4727(5) 0.7392(5) 0.72141(17) 0.0199(14) Uani 1 1 d . . .
H47 H 0.5020 0.7028 0.7031 0.024 Uiso 1 1 calc R . .
C48 C 0.3263(5) 0.7861(5) 0.67908(17) 0.0216(14) Uani 1 1 d . . .
C49 C 0.2456(5) 0.8534(5) 0.67037(18) 0.0273(15) Uani 1 1 d . . .
H49 H 0.2279 0.9044 0.6868 0.033 Uiso 1 1 calc R . .
C50 C 0.1905(5) 0.8477(6) 0.63825(18) 0.0304(16) Uani 1 1 d . . .
H50 H 0.1348 0.8934 0.6330 0.037 Uiso 1 1 calc R . .
C51 C 0.2172(5) 0.7748(5) 0.61386(18) 0.0267(15) Uani 1 1 d . . .
C52 C 0.3005(5) 0.7097(5) 0.62175(18) 0.0284(16) Uani 1 1 d . . .
H52 H 0.3210 0.6616 0.6049 0.034 Uiso 1 1 calc R . .
C53 C 0.3529(5) 0.7151(5) 0.65380(18) 0.0254(15) Uani 1 1 d . . .
H53 H 0.4086 0.6694 0.6589 0.031 Uiso 1 1 calc R . .
C54 C 0.8190(5) 0.6757(6) 0.90442(18) 0.0305(16) Uani 1 1 d . . .
H54A H 0.8729 0.7032 0.8902 0.037 Uiso 1 1 calc R . .
H54B H 0.7985 0.6061 0.8954 0.037 Uiso 1 1 calc R . .
C55 C 0.8572(5) 0.6688(6) 0.9421(2) 0.0361(18) Uani 1 1 d . . .
H55A H 0.9102 0.6142 0.9446 0.043 Uiso 1 1 calc R . .
H55B H 0.8002 0.6471 0.9560 0.043 Uiso 1 1 calc R . .
C56 C 0.9010(6) 0.7691(7) 0.9570(2) 0.0387(19) Uani 1 1 d . . .
H56A H 0.8517 0.8258 0.9515 0.046 Uiso 1 1 calc R . .
H56B H 0.9639 0.7854 0.9454 0.046 Uiso 1 1 calc R . .
C57 C 0.9262(6) 0.7675(7) 0.9962(2) 0.041(2) Uani 1 1 d . . .
H57A H 0.8628 0.7566 1.0081 0.049 Uiso 1 1 calc R . .
H57B H 0.9723 0.7083 1.0021 0.049 Uiso 1 1 calc R . .
C58 C 0.9766(6) 0.8673(7) 1.0094(2) 0.047(2) Uani 1 1 d . . .
H58A H 0.9324 0.9266 1.0019 0.056 Uiso 1 1 calc R . .
H58B H 1.0419 0.8756 0.9985 0.056 Uiso 1 1 calc R . .
C59 C 0.9971(7) 0.8719(9) 1.0488(2) 0.062(3) Uani 1 1 d . . .
H59A H 0.9325 0.8673 1.0600 0.093 Uiso 1 1 calc R . .
H59B H 1.0308 0.9378 1.0553 0.093 Uiso 1 1 calc R . .
H59C H 1.0412 0.8138 1.0566 0.093 Uiso 1 1 calc R . .
C60 C 0.0750(6) 0.8188(6) 0.5744(2) 0.0365(18) Uani 1 1 d . . .
H60A H 0.0897 0.8942 0.5754 0.044 Uiso 1 1 calc R . .
H60B H 0.0249 0.8025 0.5917 0.044 Uiso 1 1 calc R . .
C61 C 0.0328(5) 0.7890(6) 0.53824(19) 0.0350(17) Uani 1 1 d . . .
H61A H -0.0331 0.8250 0.5332 0.042 Uiso 1 1 calc R . .
H61B H 0.0195 0.7133 0.5377 0.042 Uiso 1 1 calc R . .
C62 C 0.1035(5) 0.8159(6) 0.50967(19) 0.0341(17) Uani 1 1 d . . .
H62A H 0.1251 0.8894 0.5124 0.041 Uiso 1 1 calc R . .
H62B H 0.1653 0.7720 0.5126 0.041 Uiso 1 1 calc R . .
C63 C 0.0538(6) 0.8001(6) 0.4732(2) 0.0357(18) Uani 1 1 d . . .
H63A H 0.1077 0.7944 0.4566 0.043 Uiso 1 1 calc R . .
H63B H 0.0156 0.7337 0.4726 0.043 Uiso 1 1 calc R . .
C64 C -0.0184(6) 0.8872(6) 0.4614(2) 0.0359(18) Uani 1 1 d . . .
H64A H -0.0668 0.8993 0.4795 0.043 Uiso 1 1 calc R . .
H64B H 0.0213 0.9518 0.4589 0.043 Uiso 1 1 calc R . .
C65 C -0.0779(6) 0.8638(6) 0.4271(2) 0.0389(19) Uani 1 1 d . . .
H65A H -0.0305 0.8456 0.4095 0.058 Uiso 1 1 calc R . .
H65B H -0.1172 0.9253 0.4194 0.058 Uiso 1 1 calc R . .
H65C H -0.1243 0.8056 0.4302 0.058 Uiso 1 1 calc R . .
C66A C 0.9475(12) 0.5188(14) 0.8170(2) 0.048(4) Uani 0.581(15) 1 d PD A 1
H66A H 0.9422 0.5938 0.8209 0.073 Uiso 0.581(15) 1 calc PR A 1
H66B H 1.0155 0.4947 0.8254 0.073 Uiso 0.581(15) 1 calc PR A 1
H66C H 0.8960 0.4825 0.8297 0.073 Uiso 0.581(15) 1 calc PR A 1
C67A C 0.9300(6) 0.4959(7) 0.7783(2) 0.050(2) Uani 0.581(15) 1 d PD A 1
H67A H 0.9918 0.5174 0.7668 0.060 Uiso 0.581(15) 1 calc PR A 1
H67B H 0.9233 0.4197 0.7753 0.060 Uiso 0.581(15) 1 calc PR A 1
C66B C 0.9160(16) 0.4497(17) 0.8140(3) 0.048(4) Uani 0.419(15) 1 d PD A 2
H66D H 0.8811 0.5001 0.8281 0.073 Uiso 0.419(15) 1 calc PR A 2
H66E H 0.9827 0.4330 0.8255 0.073 Uiso 0.419(15) 1 calc PR A 2
H66F H 0.8750 0.3862 0.8114 0.073 Uiso 0.419(15) 1 calc PR A 2
C67B C 0.9300(6) 0.4959(7) 0.7783(2) 0.050(2) Uani 0.419(15) 1 d PD A 2
H67C H 0.9850 0.5485 0.7810 0.060 Uiso 0.419(15) 1 calc PR A 2
H67D H 0.9544 0.4399 0.7633 0.060 Uiso 0.419(15) 1 calc PR A 2
C68 C 0.8419(5) 0.5449(5) 0.7595(2) 0.0272(15) Uani 1 1 d U . .
C69 C 0.8223(5) 0.5282(5) 0.72557(17) 0.0223(14) Uani 1 1 d U A .
H69 H 0.8726 0.4893 0.7147 0.027 Uiso 1 1 calc R . .
C70 C 0.7382(5) 0.5597(5) 0.7033(2) 0.0291(16) Uani 1 1 d . . .
C71 C 0.7314(6) 0.5269(7) 0.6656(2) 0.0393(19) Uani 1 1 d . A .
H71A H 0.7276 0.4501 0.6646 0.047 Uiso 1 1 calc R . .
H71B H 0.7949 0.5482 0.6552 0.047 Uiso 1 1 calc R . .
C72 C 0.6408(6) 0.5715(7) 0.6432(2) 0.0401(19) Uani 1 1 d . . .
H72A H 0.5771 0.5459 0.6519 0.060 Uiso 1 1 calc R A .
H72B H 0.6450 0.5496 0.6189 0.060 Uiso 1 1 calc R . .
H72C H 0.6422 0.6476 0.6445 0.060 Uiso 1 1 calc R . .
N2 N 0.5226(4) 0.7410(4) 0.75285(14) 0.0213(12) Uani 1 1 d . A .
O5 O 0.7331(4) 0.7445(4) 0.90280(13) 0.0341(12) Uani 1 1 d . . .
O6 O 0.1671(4) 0.7603(4) 0.58189(13) 0.0330(12) Uani 1 1 d . . .
O7 O 0.7881(3) 0.6032(4) 0.77976(12) 0.0268(11) Uani 1 1 d . A .
O8 O 0.6659(3) 0.6180(3) 0.71275(12) 0.0264(11) Uani 1 1 d . A .
Pt2 Pt 0.656857(18) 0.67086(2) 0.763624(7) 0.02070(8) 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 0.019(3) 0.016(3) 0.040(4) 0.000(3) 0.007(3) -0.002(3)
C2 0.024(4) 0.023(4) 0.026(4) 0.000(3) 0.008(3) 0.005(3)
C3 0.029(4) 0.029(4) 0.024(4) 0.002(3) 0.005(3) 0.003(3)
C4 0.031(4) 0.034(4) 0.025(4) -0.002(3) 0.012(3) 0.002(3)
C5 0.026(4) 0.030(4) 0.036(4) -0.003(3) 0.015(3) 0.006(3)
C6 0.025(3) 0.016(3) 0.027(4) 0.004(3) 0.007(3) -0.003(3)
C7 0.016(3) 0.016(3) 0.037(4) 0.003(3) 0.008(3) -0.001(3)
C8 0.015(3) 0.025(4) 0.046(4) -0.004(3) 0.010(3) -0.003(3)
C9 0.0094(14) 0.0058(14) 0.0111(14) -0.0012(9) 0.0006(9) 0.0006(9)
C10 0.022(3) 0.014(3) 0.038(4) 0.008(3) 0.006(3) -0.005(3)
C11 0.021(3) 0.013(3) 0.033(4) -0.003(3) 0.010(3) 0.003(3)
C12 0.022(3) 0.018(3) 0.034(4) -0.002(3) 0.005(3) -0.002(3)
C13 0.037(4) 0.027(4) 0.038(4) -0.005(3) 0.003(3) 0.008(3)
C14 0.035(4) 0.034(4) 0.039(4) 0.001(4) -0.001(3) 0.013(3)
C15 0.021(3) 0.035(4) 0.031(4) 0.002(3) 0.003(3) -0.004(3)
C16 0.022(4) 0.031(4) 0.038(4) 0.000(3) 0.005(3) -0.001(3)
C17 0.017(3) 0.024(4) 0.041(4) 0.009(3) 0.003(3) 0.000(3)
C18 0.025(4) 0.043(5) 0.034(4) -0.001(3) 0.005(3) 0.001(3)
C19 0.029(4) 0.039(4) 0.034(4) -0.004(3) 0.001(3) -0.003(3)
C20 0.036(4) 0.050(5) 0.044(5) 0.003(4) 0.000(4) -0.004(4)
C21 0.052(5) 0.046(5) 0.055(6) 0.008(4) 0.012(4) 0.009(4)
C22 0.051(5) 0.051(6) 0.049(5) -0.003(4) 0.002(4) 0.011(4)
C23 0.083(7) 0.061(7) 0.040(5) 0.002(5) 0.008(5) 0.022(6)
C24 0.036(4) 0.037(4) 0.037(4) 0.001(4) -0.001(3) 0.005(4)
C25 0.028(4) 0.038(5) 0.041(4) 0.006(4) 0.000(3) 0.001(3)
C26 0.026(4) 0.038(4) 0.038(4) 0.007(3) 0.005(3) 0.005(3)
C27 0.029(4) 0.051(5) 0.029(4) 0.006(4) 0.003(3) 0.002(4)
C28 0.051(5) 0.049(5) 0.041(5) -0.007(4) 0.002(4) 0.011(4)
C29 0.069(7) 0.068(7) 0.042(5) -0.010(5) -0.007(5) 0.029(5)
C30 0.027(4) 0.039(5) 0.042(5) 0.000(4) -0.003(3) 0.011(3)
C31 0.031(4) 0.015(3) 0.039(4) 0.006(3) 0.004(3) 0.008(3)
C32 0.021(3) 0.021(3) 0.035(4) 0.003(3) 0.009(3) 0.000(3)
C33 0.0328(18) 0.0319(18) 0.0323(18) 0.0028(10) 0.0023(10) 0.0012(10)
C34 0.014(3) 0.029(4) 0.039(4) -0.002(3) 0.012(3) 0.006(3)
C35 0.043(5) 0.045(5) 0.033(4) -0.006(4) 0.003(3) 0.014(4)
C36 0.042(4) 0.040(5) 0.026(4) -0.001(3) 0.000(3) -0.006(4)
N1 0.022(3) 0.013(3) 0.028(3) 0.000(2) 0.007(2) 0.000(2)
O1 0.036(3) 0.045(3) 0.026(3) -0.003(2) 0.005(2) 0.008(2)
O2 0.030(3) 0.037(3) 0.032(3) 0.002(2) 0.001(2) 0.006(2)
O3 0.021(2) 0.018(2) 0.030(3) -0.0004(19) 0.0083(19) 0.0041(19)
O4 0.026(2) 0.021(2) 0.026(3) 0.0001(19) 0.003(2) -0.001(2)
Pt1 0.01621(13) 0.01649(13) 0.02697(14) 0.00032(10) 0.00677(10) 0.00067(10)
C37 0.020(3) 0.016(3) 0.027(4) 0.004(3) 0.008(3) -0.005(3)
C38 0.017(3) 0.020(3) 0.032(4) 0.000(3) 0.007(3) 0.003(3)
C39 0.023(4) 0.029(4) 0.030(4) 0.005(3) -0.001(3) -0.003(3)
C40 0.028(4) 0.026(4) 0.023(4) -0.001(3) 0.007(3) 0.002(3)
C41 0.021(3) 0.020(3) 0.038(4) 0.001(3) 0.009(3) 0.001(3)
C42 0.014(3) 0.016(3) 0.034(4) 0.002(3) 0.007(3) 0.003(3)
C43 0.021(3) 0.012(3) 0.032(4) 0.003(3) 0.011(3) -0.003(3)
C44 0.021(3) 0.026(4) 0.026(4) 0.000(3) 0.008(3) 0.006(3)
C45 0.0206(16) 0.0214(16) 0.0228(16) 0.0002(10) 0.0028(10) 0.0008(10)
C46 0.015(3) 0.016(3) 0.033(4) 0.007(3) 0.003(3) -0.008(3)
C47 0.024(3) 0.013(3) 0.024(4) -0.002(3) 0.009(3) 0.002(3)
C48 0.021(3) 0.015(3) 0.029(4) -0.001(3) 0.007(3) -0.006(3)
C49 0.028(4) 0.021(4) 0.033(4) -0.001(3) 0.006(3) 0.000(3)
C50 0.031(4) 0.028(4) 0.032(4) 0.003(3) -0.001(3) 0.004(3)
C51 0.029(4) 0.025(4) 0.026(4) 0.000(3) -0.001(3) -0.002(3)
C52 0.028(4) 0.025(4) 0.033(4) 0.000(3) 0.006(3) 0.007(3)
C53 0.019(3) 0.023(4) 0.035(4) 0.000(3) 0.005(3) 0.004(3)
C54 0.022(4) 0.035(4) 0.035(4) 0.005(3) 0.005(3) 0.002(3)
C55 0.024(4) 0.044(5) 0.041(4) 0.015(4) 0.003(3) 0.000(3)
C56 0.030(4) 0.050(5) 0.036(4) 0.006(4) 0.005(3) 0.004(4)
C57 0.024(4) 0.066(6) 0.032(4) 0.007(4) 0.004(3) 0.005(4)
C58 0.038(5) 0.064(6) 0.037(5) -0.003(4) 0.003(4) 0.014(4)
C59 0.050(6) 0.093(8) 0.042(5) -0.009(5) -0.001(4) 0.021(5)
C60 0.031(4) 0.040(5) 0.039(4) -0.001(4) 0.003(3) 0.009(3)
C61 0.026(4) 0.041(5) 0.038(4) 0.003(4) 0.001(3) 0.002(3)
C62 0.026(4) 0.038(4) 0.038(4) -0.003(3) -0.001(3) 0.001(3)
C63 0.030(4) 0.038(5) 0.039(4) -0.006(3) 0.006(3) 0.000(3)
C64 0.034(4) 0.038(5) 0.037(4) -0.002(3) 0.007(3) -0.001(3)
C65 0.034(4) 0.042(5) 0.040(5) 0.003(4) 0.000(3) -0.001(4)
C66A 0.040(8) 0.055(9) 0.047(7) -0.017(7) -0.018(6) 0.024(7)
C67A 0.027(4) 0.040(5) 0.085(7) 0.020(5) 0.021(4) 0.014(4)
C66B 0.040(8) 0.055(9) 0.047(7) -0.017(7) -0.018(6) 0.024(7)
C67B 0.027(4) 0.040(5) 0.085(7) 0.020(5) 0.021(4) 0.014(4)
C68 0.019(3) 0.015(3) 0.048(4) 0.008(3) 0.006(3) 0.002(2)
C69 0.0217(16) 0.0220(16) 0.0234(16) 0.0016(10) 0.0041(10) 0.0023(10)
C70 0.029(4) 0.015(3) 0.046(4) -0.006(3) 0.020(3) -0.005(3)
C71 0.030(4) 0.048(5) 0.042(5) -0.017(4) 0.015(3) -0.002(4)
C72 0.043(5) 0.046(5) 0.033(4) -0.006(4) 0.012(4) -0.011(4)
N2 0.015(3) 0.016(3) 0.034(3) 0.000(2) 0.012(2) -0.001(2)
O5 0.030(3) 0.044(3) 0.029(3) 0.003(2) 0.001(2) 0.004(2)
O6 0.031(3) 0.034(3) 0.034(3) -0.007(2) -0.004(2) 0.007(2)
O7 0.020(2) 0.023(3) 0.039(3) 0.000(2) 0.008(2) 0.0028(19)
O8 0.022(2) 0.021(2) 0.037(3) -0.005(2) 0.007(2) 0.001(2)
Pt2 0.01504(13) 0.01772(13) 0.03006(15) -0.00041(10) 0.00682(10) 0.00111(10)

_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 C2 1.377(10) . ?
C1 C6 1.422(9) . ?
C1 Pt1 1.973(7) . ?
C2 H2 0.87(7) . ?
C2 C3 1.381(9) . ?
C3 C4 1.395(10) . ?
C3 O1 1.375(8) . ?
C4 H4 0.95(8) . ?
C4 C5 1.369(10) . ?
C5 H5 0.89(8) . ?
C5 C6 1.405(9) . ?
C6 C7 1.451(10) . ?
C7 C8 1.401(9) . ?
C7 N1 1.364(8) . ?
C8 H8 1.00(7) . ?
C8 C9 1.380(9) . ?
C9 H9 0.86(6) . ?
C9 C10 1.418(9) . ?
C10 C11 1.400(9) . ?
C10 C12 1.491(10) . ?
C11 H11 0.9500 . ?
C11 N1 1.324(9) . ?
C12 C13 1.403(10) . ?
C12 C17 1.397(10) . ?
C13 H13 0.9500 . ?
C13 C14 1.384(10) . ?
C14 H14 0.9500 . ?
C14 C15 1.385(10) . ?
C15 C16 1.391(10) . ?
C15 O2 1.373(8) . ?
C16 H16 0.9500 . ?
C16 C17 1.369(10) . ?
C17 H17 0.9500 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.511(10) . ?
C18 O1 1.441(8) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.520(11) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.534(12) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.491(12) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.555(12) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.511(10) . ?
C24 O2 1.432(9) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.506(11) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.532(10) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.508(11) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.522(11) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30 C31 1.505(10) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.535(9) . ?
C32 C33 1.408(10) . ?
C32 O3 1.283(8) . ?
C33 H33 0.9500 . ?
C33 C34 1.415(10) . ?
C34 C35 1.519(10) . ?
C34 O4 1.284(8) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.487(10) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
N1 Pt1 1.992(5) . ?
O3 Pt1 2.009(4) . ?
O4 Pt1 2.089(4) . ?
C37 C38 1.380(9) . ?
C37 C42 1.418(9) . ?
C37 Pt2 1.967(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.396(9) . ?
C39 C40 1.397(9) . ?
C39 O5 1.364(8) . ?
C40 H40 0.9500 . ?
C40 C41 1.378(10) . ?
C41 H41 0.9500 . ?
C41 C42 1.395(9) . ?
C42 C43 1.449(9) . ?
C43 C44 1.377(9) . ?
C43 N2 1.386(8) . ?
C44 H44 0.9500 . ?
C44 C45 1.375(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.364(9) . ?
C46 C47 1.396(9) . ?
C46 C48 1.487(9) . ?
C47 H47 0.9500 . ?
C47 N2 1.335(8) . ?
C48 C49 1.393(9) . ?
C48 C53 1.396(9) . ?
C49 H49 0.9500 . ?
C49 C50 1.390(10) . ?
C50 H50 0.9500 . ?
C50 C51 1.388(10) . ?
C51 C52 1.396(9) . ?
C51 O6 1.367(8) . ?
C52 H52 0.9500 . ?
C52 C53 1.372(10) . ?
C53 H53 0.9500 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55 1.504(10) . ?
C54 O5 1.434(8) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.510(11) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.518(10) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.516(12) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 C59 1.521(11) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C61 1.509(10) . ?
C60 O6 1.439(8) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C62 1.528(10) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C62 C63 1.519(10) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C64 1.517(10) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C65 1.516(10) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66A H66A 0.9800 . ?
C66A H66B 0.9800 . ?
C66A H66C 0.9800 . ?
C66A C67A 1.5194(10) . ?
C67A H67A 0.9900 . ?
C67A H67B 0.9900 . ?
C67A C68 1.464(10) . ?
C66B H66D 0.9800 . ?
C66B H66E 0.9800 . ?
C66B H66F 0.9800 . ?
C68 C69 1.332(10) . ?
C68 O7 1.320(8) . ?
C69 H69 0.9500 . ?
C69 C70 1.410(10) . ?
C70 C71 1.508(10) . ?
C70 O8 1.284(8) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C71 C72 1.533(11) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
N2 Pt2 2.001(5) . ?
O7 Pt2 1.995(4) . ?
O8 Pt2 2.082(5) . ?

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
C2 C1 C6 119.3(6) . . ?
C2 C1 Pt1 127.5(5) . . ?
C6 C1 Pt1 113.2(5) . . ?
C1 C2 H2 118(5) . . ?
C1 C2 C3 120.8(6) . . ?
C3 C2 H2 121(5) . . ?
C2 C3 C4 120.4(7) . . ?
O1 C3 C2 124.4(6) . . ?
O1 C3 C4 115.2(6) . . ?
C3 C4 H4 116(5) . . ?
C5 C4 C3 119.8(7) . . ?
C5 C4 H4 125(5) . . ?
C4 C5 H5 119(5) . . ?
C4 C5 C6 120.8(7) . . ?
C6 C5 H5 120(5) . . ?
C1 C6 C7 114.8(6) . . ?
C5 C6 C1 118.8(6) . . ?
C5 C6 C7 126.4(6) . . ?
C8 C7 C6 126.2(6) . . ?
N1 C7 C6 114.5(6) . . ?
N1 C7 C8 119.3(6) . . ?
C7 C8 H8 112(4) . . ?
C9 C8 C7 121.3(6) . . ?
C9 C8 H8 126(4) . . ?
C8 C9 H9 130(4) . . ?
C8 C9 C10 118.4(6) . . ?
C10 C9 H9 111(4) . . ?
C9 C10 C12 122.4(6) . . ?
C11 C10 C9 117.2(6) . . ?
C11 C10 C12 120.3(6) . . ?
C10 C11 H11 118.2 . . ?
N1 C11 C10 123.6(6) . . ?
N1 C11 H11 118.2 . . ?
C13 C12 C10 120.1(6) . . ?
C17 C12 C10 123.5(6) . . ?
C17 C12 C13 116.4(6) . . ?
C12 C13 H13 118.9 . . ?
C14 C13 C12 122.2(7) . . ?
C14 C13 H13 118.9 . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.9(7) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 C16 118.7(7) . . ?
O2 C15 C14 125.1(7) . . ?
O2 C15 C16 116.2(6) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 C15 120.9(7) . . ?
C17 C16 H16 119.5 . . ?
C12 C17 H17 119.1 . . ?
C16 C17 C12 121.9(7) . . ?
C16 C17 H17 119.1 . . ?
H18A C18 H18B 108.4 . . ?
C19 C18 H18A 110.1 . . ?
C19 C18 H18B 110.1 . . ?
O1 C18 H18A 110.1 . . ?
O1 C18 H18B 110.1 . . ?
O1 C18 C19 107.9(6) . . ?
C18 C19 H19A 109.2 . . ?
C18 C19 H19B 109.2 . . ?
C18 C19 C20 112.0(6) . . ?
H19A C19 H19B 107.9 . . ?
C20 C19 H19A 109.2 . . ?
C20 C19 H19B 109.2 . . ?
C19 C20 H20A 108.5 . . ?
C19 C20 H20B 108.5 . . ?
C19 C20 C21 115.1(7) . . ?
H20A C20 H20B 107.5 . . ?
C21 C20 H20A 108.5 . . ?
C21 C20 H20B 108.5 . . ?
C20 C21 H21A 108.9 . . ?
C20 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
C22 C21 C20 113.4(7) . . ?
C22 C21 H21A 108.9 . . ?
C22 C21 H21B 108.9 . . ?
C21 C22 H22A 109.0 . . ?
C21 C22 H22B 109.0 . . ?
C21 C22 C23 112.7(8) . . ?
H22A C22 H22B 107.8 . . ?
C23 C22 H22A 109.0 . . ?
C23 C22 H22B 109.0 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
H24A C24 H24B 108.3 . . ?
C25 C24 H24A 109.9 . . ?
C25 C24 H24B 109.9 . . ?
O2 C24 H24A 109.9 . . ?
O2 C24 H24B 109.9 . . ?
O2 C24 C25 109.0(6) . . ?
C24 C25 H25A 108.4 . . ?
C24 C25 H25B 108.4 . . ?
H25A C25 H25B 107.5 . . ?
C26 C25 C24 115.4(6) . . ?
C26 C25 H25A 108.4 . . ?
C26 C25 H25B 108.4 . . ?
C25 C26 H26A 109.0 . . ?
C25 C26 H26B 109.0 . . ?
C25 C26 C27 112.7(6) . . ?
H26A C26 H26B 107.8 . . ?
C27 C26 H26A 109.0 . . ?
C27 C26 H26B 109.0 . . ?
C26 C27 H27A 108.6 . . ?
C26 C27 H27B 108.6 . . ?
H27A C27 H27B 107.6 . . ?
C28 C27 C26 114.7(7) . . ?
C28 C27 H27A 108.6 . . ?
C28 C27 H27B 108.6 . . ?
C27 C28 H28A 108.7 . . ?
C27 C28 H28B 108.7 . . ?
C27 C28 C29 114.3(8) . . ?
H28A C28 H28B 107.6 . . ?
C29 C28 H28A 108.7 . . ?
C29 C28 H28B 108.7 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
C30 C31 H31A 108.5 . . ?
C30 C31 H31B 108.5 . . ?
C30 C31 C32 114.9(6) . . ?
H31A C31 H31B 107.5 . . ?
C32 C31 H31A 108.5 . . ?
C32 C31 H31B 108.5 . . ?
C33 C32 C31 115.8(6) . . ?
O3 C32 C31 115.3(6) . . ?
O3 C32 C33 128.8(7) . . ?
C32 C33 H33 118.4 . . ?
C32 C33 C34 123.3(7) . . ?
C34 C33 H33 118.4 . . ?
C33 C34 C35 116.2(6) . . ?
O4 C34 C33 128.3(7) . . ?
O4 C34 C35 115.3(6) . . ?
C34 C35 H35A 108.0 . . ?
C34 C35 H35B 108.0 . . ?
H35A C35 H35B 107.2 . . ?
C36 C35 C34 117.4(6) . . ?
C36 C35 H35A 108.0 . . ?
C36 C35 H35B 108.0 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C7 N1 Pt1 115.0(4) . . ?
C11 N1 C7 120.1(6) . . ?
C11 N1 Pt1 124.9(4) . . ?
C3 O1 C18 118.1(5) . . ?
C15 O2 C24 116.6(6) . . ?
C32 O3 Pt1 124.2(4) . . ?
C34 O4 Pt1 122.1(4) . . ?
C1 Pt1 N1 82.5(2) . . ?
C1 Pt1 O3 91.5(2) . . ?
C1 Pt1 O4 175.5(2) . . ?
N1 Pt1 O3 174.0(2) . . ?
N1 Pt1 O4 93.6(2) . . ?
O3 Pt1 O4 92.38(17) . . ?
C38 C37 C42 118.6(6) . . ?
C38 C37 Pt2 127.8(5) . . ?
C42 C37 Pt2 113.6(5) . . ?
C37 C38 H38 119.7 . . ?
C37 C38 C39 120.6(6) . . ?
C39 C38 H38 119.7 . . ?
C38 C39 C40 120.5(6) . . ?
O5 C39 C38 124.7(6) . . ?
O5 C39 C40 114.8(6) . . ?
C39 C40 H40 120.3 . . ?
C41 C40 C39 119.5(6) . . ?
C41 C40 H40 120.3 . . ?
C40 C41 H41 119.8 . . ?
C40 C41 C42 120.4(6) . . ?
C42 C41 H41 119.8 . . ?
C37 C42 C43 115.8(6) . . ?
C41 C42 C37 120.4(6) . . ?
C41 C42 C43 123.8(6) . . ?
C44 C43 C42 129.2(6) . . ?
C44 C43 N2 117.7(6) . . ?
N2 C43 C42 113.0(5) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 C43 119.9(6) . . ?
C45 C44 H44 120.0 . . ?
C44 C45 H45 118.6 . . ?
C46 C45 C44 122.8(6) . . ?
C46 C45 H45 118.6 . . ?
C45 C46 C47 115.8(6) . . ?
C45 C46 C48 123.2(6) . . ?
C47 C46 C48 120.9(6) . . ?
C46 C47 H47 118.8 . . ?
N2 C47 C46 122.4(6) . . ?
N2 C47 H47 118.8 . . ?
C49 C48 C46 120.3(6) . . ?
C49 C48 C53 117.6(6) . . ?
C53 C48 C46 122.1(6) . . ?
C48 C49 H49 119.2 . . ?
C50 C49 C48 121.5(6) . . ?
C50 C49 H49 119.2 . . ?
C49 C50 H50 120.2 . . ?
C51 C50 C49 119.7(7) . . ?
C51 C50 H50 120.2 . . ?
C50 C51 C52 119.3(6) . . ?
O6 C51 C50 124.8(6) . . ?
O6 C51 C52 115.9(6) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 C51 120.2(6) . . ?
C53 C52 H52 119.9 . . ?
C48 C53 H53 119.2 . . ?
C52 C53 C48 121.6(6) . . ?
C52 C53 H53 119.2 . . ?
H54A C54 H54B 108.6 . . ?
C55 C54 H54A 110.4 . . ?
C55 C54 H54B 110.4 . . ?
O5 C54 H54A 110.4 . . ?
O5 C54 H54B 110.4 . . ?
O5 C54 C55 106.7(6) . . ?
C54 C55 H55A 108.7 . . ?
C54 C55 H55B 108.7 . . ?
C54 C55 C56 114.1(6) . . ?
H55A C55 H55B 107.6 . . ?
C56 C55 H55A 108.7 . . ?
C56 C55 H55B 108.7 . . ?
C55 C56 H56A 108.6 . . ?
C55 C56 H56B 108.6 . . ?
C55 C56 C57 114.6(7) . . ?
H56A C56 H56B 107.6 . . ?
C57 C56 H56A 108.6 . . ?
C57 C56 H56B 108.6 . . ?
C56 C57 H57A 109.1 . . ?
C56 C57 H57B 109.1 . . ?
H57A C57 H57B 107.8 . . ?
C58 C57 C56 112.5(7) . . ?
C58 C57 H57A 109.1 . . ?
C58 C57 H57B 109.1 . . ?
C57 C58 H58A 108.7 . . ?
C57 C58 H58B 108.7 . . ?
C57 C58 C59 114.3(8) . . ?
H58A C58 H58B 107.6 . . ?
C59 C58 H58A 108.7 . . ?
C59 C58 H58B 108.7 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
H60A C60 H60B 108.5 . . ?
C61 C60 H60A 110.2 . . ?
C61 C60 H60B 110.2 . . ?
O6 C60 H60A 110.2 . . ?
O6 C60 H60B 110.2 . . ?
O6 C60 C61 107.6(6) . . ?
C60 C61 H61A 108.8 . . ?
C60 C61 H61B 108.8 . . ?
C60 C61 C62 113.7(6) . . ?
H61A C61 H61B 107.7 . . ?
C62 C61 H61A 108.8 . . ?
C62 C61 H61B 108.8 . . ?
C61 C62 H62A 109.0 . . ?
C61 C62 H62B 109.0 . . ?
H62A C62 H62B 107.8 . . ?
C63 C62 C61 112.8(6) . . ?
C63 C62 H62A 109.0 . . ?
C63 C62 H62B 109.0 . . ?
C62 C63 H63A 108.9 . . ?
C62 C63 H63B 108.9 . . ?
H63A C63 H63B 107.7 . . ?
C64 C63 C62 113.5(6) . . ?
C64 C63 H63A 108.9 . . ?
C64 C63 H63B 108.9 . . ?
C63 C64 H64A 109.0 . . ?
C63 C64 H64B 109.0 . . ?
H64A C64 H64B 107.8 . . ?
C65 C64 C63 112.9(6) . . ?
C65 C64 H64A 109.0 . . ?
C65 C64 H64B 109.0 . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C66A C67A H67A 108.0 . . ?
C66A C67A H67B 108.0 . . ?
H67A C67A H67B 107.2 . . ?
C68 C67A C66A 117.3(8) . . ?
C68 C67A H67A 108.0 . . ?
C68 C67A H67B 108.0 . . ?
H66D C66B H66E 109.5 . . ?
H66D C66B H66F 109.5 . . ?
H66E C66B H66F 109.5 . . ?
C69 C68 C67A 120.3(6) . . ?
O7 C68 C67A 113.2(7) . . ?
O7 C68 C69 126.5(6) . . ?
C68 C69 H69 115.2 . . ?
C68 C69 C70 129.7(6) . . ?
C70 C69 H69 115.2 . . ?
C69 C70 C71 119.7(6) . . ?
O8 C70 C69 124.3(7) . . ?
O8 C70 C71 116.0(7) . . ?
C70 C71 H71A 108.4 . . ?
C70 C71 H71B 108.4 . . ?
C70 C71 C72 115.3(6) . . ?
H71A C71 H71B 107.5 . . ?
C72 C71 H71A 108.4 . . ?
C72 C71 H71B 108.4 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C43 N2 Pt2 115.3(4) . . ?
C47 N2 C43 121.2(5) . . ?
C47 N2 Pt2 123.4(4) . . ?
C39 O5 C54 118.9(5) . . ?
C51 O6 C60 117.1(5) . . ?
C68 O7 Pt2 123.5(4) . . ?
C70 O8 Pt2 123.2(5) . . ?
C37 Pt2 N2 82.2(2) . . ?
C37 Pt2 O7 91.8(2) . . ?
C37 Pt2 O8 175.6(2) . . ?
N2 Pt2 O8 93.4(2) . . ?
O7 Pt2 N2 173.8(2) . . ?
O7 Pt2 O8 92.57(18) . . ?

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
C1 C2 C3 C4 -0.9(11) . . . . ?
C1 C2 C3 O1 178.3(6) . . . . ?
C1 C6 C7 C8 -178.2(6) . . . . ?
C1 C6 C7 N1 -0.4(8) . . . . ?
C2 C1 C6 C5 0.7(10) . . . . ?
C2 C1 C6 C7 178.1(6) . . . . ?
C2 C1 Pt1 N1 -177.5(6) . . . . ?
C2 C1 Pt1 O3 1.9(6) . . . . ?
C2 C3 C4 C5 0.1(11) . . . . ?
C2 C3 O1 C18 9.6(10) . . . . ?
C3 C4 C5 C6 1.2(11) . . . . ?
C4 C3 O1 C18 -171.2(6) . . . . ?
C4 C5 C6 C1 -1.5(10) . . . . ?
C4 C5 C6 C7 -178.6(7) . . . . ?
C5 C6 C7 C8 -1.0(11) . . . . ?
C5 C6 C7 N1 176.7(6) . . . . ?
C6 C1 C2 C3 0.5(10) . . . . ?
C6 C1 Pt1 N1 1.7(5) . . . . ?
C6 C1 Pt1 O3 -178.8(5) . . . . ?
C6 C7 C8 C9 176.7(6) . . . . ?
C6 C7 N1 C11 -177.4(6) . . . . ?
C6 C7 N1 Pt1 1.9(7) . . . . ?
C7 C8 C9 C10 -0.8(9) . . . . ?
C7 N1 Pt1 C1 -2.0(5) . . . . ?
C7 N1 Pt1 O4 -179.8(4) . . . . ?
C8 C7 N1 C11 0.6(9) . . . . ?
C8 C7 N1 Pt1 179.8(5) . . . . ?
C8 C9 C10 C11 2.8(8) . . . . ?
C8 C9 C10 C12 -176.0(6) . . . . ?
C9 C10 C11 N1 -3.4(9) . . . . ?
C9 C10 C12 C13 21.5(9) . . . . ?
C9 C10 C12 C17 -160.0(6) . . . . ?
C10 C11 N1 C7 1.7(9) . . . . ?
C10 C11 N1 Pt1 -177.5(5) . . . . ?
C10 C12 C13 C14 179.6(7) . . . . ?
C10 C12 C17 C16 -178.6(6) . . . . ?
C11 C10 C12 C13 -157.3(6) . . . . ?
C11 C10 C12 C17 21.2(10) . . . . ?
C11 N1 Pt1 C1 177.2(5) . . . . ?
C11 N1 Pt1 O4 -0.7(5) . . . . ?
C12 C10 C11 N1 175.5(6) . . . . ?
C12 C13 C14 C15 -2.0(12) . . . . ?
C13 C12 C17 C16 0.0(10) . . . . ?
C13 C14 C15 C16 1.9(11) . . . . ?
C13 C14 C15 O2 -177.9(7) . . . . ?
C14 C15 C16 C17 -1.0(10) . . . . ?
C14 C15 O2 C24 -3.6(10) . . . . ?
C15 C16 C17 C12 0.1(10) . . . . ?
C16 C15 O2 C24 176.6(6) . . . . ?
C17 C12 C13 C14 1.0(11) . . . . ?
C18 C19 C20 C21 171.7(7) . . . . ?
C19 C18 O1 C3 -174.9(6) . . . . ?
C19 C20 C21 C22 68.3(10) . . . . ?
C20 C21 C22 C23 179.5(8) . . . . ?
C24 C25 C26 C27 170.3(6) . . . . ?
C25 C24 O2 C15 171.9(6) . . . . ?
C25 C26 C27 C28 179.3(7) . . . . ?
C26 C27 C28 C29 175.0(7) . . . . ?
C30 C31 C32 C33 168.5(6) . . . . ?
C30 C31 C32 O3 -15.1(9) . . . . ?
C31 C32 C33 C34 -175.0(6) . . . . ?
C31 C32 O3 Pt1 -177.5(4) . . . . ?
C32 C33 C34 C35 173.1(7) . . . . ?
C32 C33 C34 O4 -12.8(12) . . . . ?
C32 O3 Pt1 C1 -179.9(5) . . . . ?
C32 O3 Pt1 O4 -2.1(5) . . . . ?
C33 C32 O3 Pt1 -1.7(10) . . . . ?
C33 C34 C35 C36 169.7(7) . . . . ?
C33 C34 O4 Pt1 7.9(10) . . . . ?
C34 O4 Pt1 N1 178.5(5) . . . . ?
C34 O4 Pt1 O3 -0.8(5) . . . . ?
C35 C34 O4 Pt1 -178.0(5) . . . . ?
N1 C7 C8 C9 -0.9(10) . . . . ?
O1 C3 C4 C5 -179.2(7) . . . . ?
O1 C18 C19 C20 71.9(8) . . . . ?
O2 C15 C16 C17 178.9(6) . . . . ?
O2 C24 C25 C26 65.0(8) . . . . ?
O3 C32 C33 C34 9.2(12) . . . . ?
O4 C34 C35 C36 -5.2(11) . . . . ?
Pt1 C1 C2 C3 179.7(5) . . . . ?
Pt1 C1 C6 C5 -178.6(5) . . . . ?
Pt1 C1 C6 C7 -1.2(7) . . . . ?
C37 C38 C39 C40 -1.4(10) . . . . ?
C37 C38 C39 O5 177.1(6) . . . . ?
C37 C42 C43 C44 179.4(6) . . . . ?
C37 C42 C43 N2 0.2(8) . . . . ?
C38 C37 C42 C41 -0.3(9) . . . . ?
C38 C37 C42 C43 -179.0(6) . . . . ?
C38 C37 Pt2 N2 178.8(6) . . . . ?
C38 C37 Pt2 O7 0.2(6) . . . . ?
C38 C39 C40 C41 0.9(10) . . . . ?
C38 C39 O5 C54 -7.7(10) . . . . ?
C39 C40 C41 C42 -0.1(10) . . . . ?
C40 C39 O5 C54 170.9(6) . . . . ?
C40 C41 C42 C37 -0.2(10) . . . . ?
C40 C41 C42 C43 178.4(6) . . . . ?
C41 C42 C43 C44 0.7(11) . . . . ?
C41 C42 C43 N2 -178.5(6) . . . . ?
C42 C37 C38 C39 1.1(10) . . . . ?
C42 C37 Pt2 N2 0.3(5) . . . . ?
C42 C37 Pt2 O7 -178.3(5) . . . . ?
C42 C43 C44 C45 -178.1(6) . . . . ?
C42 C43 N2 C47 179.1(5) . . . . ?
C42 C43 N2 Pt2 0.1(7) . . . . ?
C43 C44 C45 C46 -3.2(10) . . . . ?
C43 N2 Pt2 C37 -0.2(4) . . . . ?
C43 N2 Pt2 O8 -179.8(4) . . . . ?
C44 C43 N2 C47 -0.2(9) . . . . ?
C44 C43 N2 Pt2 -179.2(5) . . . . ?
C44 C45 C46 C47 4.0(10) . . . . ?
C44 C45 C46 C48 -178.6(6) . . . . ?
C45 C46 C47 N2 -3.0(9) . . . . ?
C45 C46 C48 C49 16.7(10) . . . . ?
C45 C46 C48 C53 -161.5(6) . . . . ?
C46 C47 N2 C43 1.2(9) . . . . ?
C46 C47 N2 Pt2 -179.8(4) . . . . ?
C46 C48 C49 C50 -175.6(6) . . . . ?
C46 C48 C53 C52 176.9(6) . . . . ?
C47 C46 C48 C53 15.8(9) . . . . ?
C47 N2 Pt2 C37 -179.2(5) . . . . ?
C47 N2 Pt2 O8 1.2(5) . . . . ?
C48 C46 C47 N2 179.5(6) . . . . ?
C48 C49 C50 C51 -1.3(11) . . . . ?
C49 C48 C53 C52 -1.4(10) . . . . ?
C49 C50 C51 C52 -1.3(11) . . . . ?
C49 C50 C51 O6 178.2(6) . . . . ?
C50 C51 C52 C53 2.5(11) . . . . ?
C50 C51 O6 C60 -5.6(10) . . . . ?
C51 C52 C53 C48 -1.2(11) . . . . ?
C52 C51 O6 C60 173.9(6) . . . . ?
C53 C48 C49 C50 2.6(10) . . . . ?
C54 C55 C56 C57 171.9(6) . . . . ?
C55 C54 O5 C39 -173.1(6) . . . . ?
C55 C56 C57 C58 176.1(7) . . . . ?
C56 C57 C58 C59 176.3(7) . . . . ?
C60 C61 C62 C63 -171.6(7) . . . . ?
C61 C60 O6 C51 -179.2(6) . . . . ?
C61 C62 C63 C64 78.3(8) . . . . ?
C62 C63 C64 C65 -172.4(6) . . . . ?
C66A C67A C68 C69 179.9(10) . . . . ?
C66A C67A C68 O7 -0.5(13) . . . . ?
C67A C68 C69 C70 174.0(7) . . . . ?
C67A C68 O7 Pt2 -174.4(5) . . . . ?
C68 C69 C70 C71 -177.5(7) . . . . ?
C68 C69 C70 O8 4.4(12) . . . . ?
C68 O7 Pt2 C37 177.2(5) . . . . ?
C68 O7 Pt2 O8 -3.2(5) . . . . ?
C69 C68 O7 Pt2 5.1(9) . . . . ?
C69 C70 C71 C72 -176.0(6) . . . . ?
C69 C70 O8 Pt2 -3.1(9) . . . . ?
C70 O8 Pt2 N2 -176.3(5) . . . . ?
C70 O8 Pt2 O7 2.3(5) . . . . ?
C71 C70 O8 Pt2 178.7(5) . . . . ?
N2 C43 C44 C45 1.1(9) . . . . ?
O5 C39 C40 C41 -177.7(6) . . . . ?
O5 C54 C55 C56 -66.5(8) . . . . ?
O6 C51 C52 C53 -177.0(6) . . . . ?
O6 C60 C61 C62 -62.3(9) . . . . ?
O7 C68 C69 C70 -5.6(12) . . . . ?
O8 C70 C71 C72 2.3(10) . . . . ?
Pt2 C37 C38 C39 -177.3(5) . . . . ?
Pt2 C37 C42 C41 178.3(5) . . . . ?
Pt2 C37 C42 C43 -0.4(7) . . . . ?