# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ic16315
_database_code_depnum_ccdc_archive 'CCDC 1026840'
_audit_update_record             
;
2014-10-02 deposited with the CCDC.
2014-12-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C110 H100 F18 N18 Pt3'
_chemical_formula_weight         2601.35

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   11.0996(7)
_cell_length_b                   15.0849(10)
_cell_length_c                   15.1862(10)
_cell_angle_alpha                94.811(2)
_cell_angle_beta                 99.629(2)
_cell_angle_gamma                94.980(2)
_cell_volume                     2484.9(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    2282
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      20.35

_exptl_crystal_description       needle
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1282
_exptl_absorpt_coefficient_mu    4.306
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3582
_exptl_absorpt_correction_T_max  0.8135
_exptl_absorpt_process_details   'SADABS (Bruker, 2001)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(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  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24310
_diffrn_reflns_av_R_equivalents  0.0715
_diffrn_reflns_av_sigmaI/netI    0.1130
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.36
_diffrn_reflns_theta_max         27.50
_reflns_number_total             11405
_reflns_number_gt                8149
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. The isotropic restraints 
 are applied to the atoms of C8, C9, C15, C16, C16, F4 ,F5 and F6. The 
 distance restraints are used to the bond of C52-C58 and C55-C59.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0577P)²+0.0000P] where P=(Fo²+2Fc²)/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         11405
_refine_ls_number_parameters     668
_refine_ls_number_restraints     50
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0597
_refine_ls_wR_factor_ref         0.1491
_refine_ls_wR_factor_gt          0.1244
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.23308(3) 0.54006(2) 0.06123(2) 0.01971(10) Uani 1 1 d . . .
N1 N 0.1216(6) 0.5183(5) -0.0614(5) 0.0222(16) Uani 1 1 d . . .
N2 N 0.1811(6) 0.4084(5) 0.0548(5) 0.0236(16) Uani 1 1 d . . .
N3 N 0.2066(7) 0.3496(5) 0.1133(5) 0.0249(17) Uani 1 1 d . . .
N4 N 0.3479(6) 0.5613(5) 0.1819(5) 0.0214(16) Uani 1 1 d . . .
N5 N 0.2746(6) 0.6733(5) 0.0723(5) 0.0217(16) Uani 1 1 d . . .
N6 N 0.2368(6) 0.7345(5) 0.0175(5) 0.0252(17) Uani 1 1 d . . .
C1 C 0.1055(7) 0.5835(6) -0.1175(6) 0.025(2) Uani 1 1 d . . .
H1 H 0.1408 0.6429 -0.0973 0.030 Uiso 1 1 calc R . .
C2 C 0.0409(8) 0.5656(6) -0.2008(6) 0.031(2) Uani 1 1 d . . .
H2 H 0.0304 0.6126 -0.2384 0.037 Uiso 1 1 calc R . .
C3 C -0.0118(8) 0.4781(6) -0.2339(6) 0.030(2) Uani 1 1 d . . .
C4 C -0.0703(8) 0.4556(6) -0.3235(6) 0.029(2) Uani 1 1 d . . .
H4 H -0.0758 0.5011 -0.3631 0.034 Uiso 1 1 calc R . .
C5 C -0.1198(8) 0.3697(7) -0.3559(6) 0.030(2) Uani 1 1 d . A .
C6 C -0.1149(8) 0.3064(7) -0.2927(7) 0.037(2) Uani 1 1 d . . .
H6 H -0.1533 0.2477 -0.3122 0.044 Uiso 1 1 calc R . .
C7 C -0.0594(8) 0.3236(6) -0.2067(7) 0.029(2) Uani 1 1 d . . .
H7 H -0.0589 0.2782 -0.1670 0.035 Uiso 1 1 calc R . .
C8 C -0.0011(7) 0.4115(6) -0.1759(6) 0.0208(18) Uani 1 1 d U . .
C9 C 0.0725(7) 0.4335(6) -0.0837(6) 0.0216(18) Uani 1 1 d U . .
C10 C 0.1016(8) 0.3725(6) -0.0200(6) 0.0223(19) Uani 1 1 d . . .
C11 C 0.0727(8) 0.2834(7) -0.0077(7) 0.031(2) Uani 1 1 d . . .
H11 H 0.0187 0.2395 -0.0472 0.037 Uiso 1 1 calc R . .
C12 C 0.1396(8) 0.2733(6) 0.0744(6) 0.028(2) Uani 1 1 d . . .
C13 C 0.1431(11) 0.1921(7) 0.1233(8) 0.043(3) Uani 1 1 d . . .
C14 C -0.1715(9) 0.3443(7) -0.4554(7) 0.035(2) Uani 1 1 d . . .
C15 C -0.0693(19) 0.3342(16) -0.5008(14) 0.062(5) Uani 0.642(7) 1 d PU A 1
H15A H -0.0171 0.2922 -0.4715 0.093 Uiso 0.642(7) 1 calc PR A 1
H15B H -0.0215 0.3924 -0.4982 0.093 Uiso 0.642(7) 1 calc PR A 1
H15C H -0.0996 0.3112 -0.5636 0.093 Uiso 0.642(7) 1 calc PR A 1
C16 C -0.2550(15) 0.4120(11) -0.4905(10) 0.042(4) Uani 0.642(7) 1 d PU A 1
H16A H -0.3227 0.4140 -0.4567 0.062 Uiso 0.642(7) 1 calc PR A 1
H16B H -0.2882 0.3949 -0.5542 0.062 Uiso 0.642(7) 1 calc PR A 1
H16C H -0.2083 0.4711 -0.4834 0.062 Uiso 0.642(7) 1 calc PR A 1
C17 C -0.249(2) 0.2487(15) -0.4736(16) 0.065(6) Uani 0.642(7) 1 d PU A 1
H17A H -0.3132 0.2469 -0.4362 0.098 Uiso 0.642(7) 1 calc PR A 1
H17B H -0.1949 0.2023 -0.4588 0.098 Uiso 0.642(7) 1 calc PR A 1
H17C H -0.2878 0.2381 -0.5371 0.098 Uiso 0.642(7) 1 calc PR A 1
C15' C -0.089(4) 0.274(3) -0.495(3) 0.062(5) Uani 0.358(7) 1 d P A 2
H15D H -0.0578 0.2369 -0.4483 0.093 Uiso 0.358(7) 1 calc PR A 2
H15E H -0.0195 0.3069 -0.5148 0.093 Uiso 0.358(7) 1 calc PR A 2
H15F H -0.1386 0.2366 -0.5461 0.093 Uiso 0.358(7) 1 calc PR A 2
C16' C -0.135(3) 0.421(2) -0.5191(18) 0.042(4) Uani 0.358(7) 1 d P A 2
H16D H -0.0462 0.4371 -0.5062 0.062 Uiso 0.358(7) 1 calc PR A 2
H16E H -0.1775 0.4737 -0.5071 0.062 Uiso 0.358(7) 1 calc PR A 2
H16F H -0.1602 0.3973 -0.5823 0.062 Uiso 0.358(7) 1 calc PR A 2
C17' C -0.294(4) 0.288(3) -0.468(3) 0.065(6) Uani 0.358(7) 1 d P A 2
H17D H -0.2982 0.2559 -0.4153 0.098 Uiso 0.358(7) 1 calc PR A 2
H17E H -0.3026 0.2456 -0.5216 0.098 Uiso 0.358(7) 1 calc PR A 2
H17F H -0.3602 0.3274 -0.4756 0.098 Uiso 0.358(7) 1 calc PR A 2
C18 C 0.3874(8) 0.4955(6) 0.2312(6) 0.025(2) Uani 1 1 d . . .
H18 H 0.3570 0.4354 0.2098 0.030 Uiso 1 1 calc R . .
C19 C 0.4681(8) 0.5110(6) 0.3094(6) 0.029(2) Uani 1 1 d . . .
H19 H 0.4959 0.4621 0.3398 0.035 Uiso 1 1 calc R . .
C20 C 0.5116(7) 0.5998(6) 0.3466(6) 0.0212(18) Uani 1 1 d . . .
C21 C 0.5872(8) 0.6202(6) 0.4302(6) 0.027(2) Uani 1 1 d . . .
H21 H 0.6137 0.5728 0.4635 0.033 Uiso 1 1 calc R . .
C22 C 0.6245(8) 0.7071(6) 0.4659(6) 0.028(2) Uani 1 1 d . . .
C23 C 0.5863(9) 0.7766(6) 0.4148(7) 0.034(2) Uani 1 1 d . . .
H23 H 0.6127 0.8371 0.4374 0.041 Uiso 1 1 calc R . .
C24 C 0.5127(9) 0.7579(6) 0.3345(7) 0.036(2) Uani 1 1 d . . .
H24 H 0.4880 0.8066 0.3025 0.043 Uiso 1 1 calc R . .
C25 C 0.4695(8) 0.6701(6) 0.2942(6) 0.026(2) Uani 1 1 d . . .
C26 C 0.3941(8) 0.6493(6) 0.2147(6) 0.025(2) Uani 1 1 d . . .
C27 C 0.3484(8) 0.7097(6) 0.1492(6) 0.0236(19) Uani 1 1 d . . .
C28 C 0.3624(8) 0.8012(6) 0.1434(6) 0.027(2) Uani 1 1 d . . .
H28 H 0.4096 0.8460 0.1860 0.033 Uiso 1 1 calc R . .
C29 C 0.2923(9) 0.8123(6) 0.0622(7) 0.033(2) Uani 1 1 d . A .
C30 C 0.2711(10) 0.8975(7) 0.0222(7) 0.039(3) Uani 1 1 d . . .
C31 C 0.6991(9) 0.7310(7) 0.5608(7) 0.034(2) Uani 1 1 d . . .
C32 C 0.6074(10) 0.7565(8) 0.6207(7) 0.048(3) Uani 1 1 d . . .
H32A H 0.5641 0.8058 0.5971 0.072 Uiso 1 1 calc R . .
H32B H 0.6513 0.7754 0.6818 0.072 Uiso 1 1 calc R . .
H32C H 0.5479 0.7048 0.6216 0.072 Uiso 1 1 calc R . .
C33 C 0.7645(9) 0.6530(6) 0.5980(7) 0.038(3) Uani 1 1 d . . .
H33A H 0.8112 0.6724 0.6582 0.058 Uiso 1 1 calc R . .
H33B H 0.8205 0.6339 0.5583 0.058 Uiso 1 1 calc R . .
H33C H 0.7034 0.6030 0.6012 0.058 Uiso 1 1 calc R . .
C34 C 0.7963(9) 0.8102(7) 0.5635(8) 0.045(3) Uani 1 1 d . . .
H34A H 0.7559 0.8626 0.5453 0.068 Uiso 1 1 calc R . .
H34B H 0.8523 0.7950 0.5223 0.068 Uiso 1 1 calc R . .
H34C H 0.8429 0.8236 0.6246 0.068 Uiso 1 1 calc R . .
F1 F 0.2550(6) 0.1707(4) 0.1517(5) 0.061(2) Uani 1 1 d . . .
F2 F 0.0907(7) 0.1999(4) 0.1965(5) 0.0599(19) Uani 1 1 d . . .
F3 F 0.0830(7) 0.1208(4) 0.0713(4) 0.061(2) Uani 1 1 d . . .
F4 F 0.1771(13) 0.9333(8) 0.0454(10) 0.073(3) Uani 0.642(7) 1 d PU A 1
F5 F 0.2410(14) 0.8868(8) -0.0660(8) 0.073(3) Uani 0.642(7) 1 d PU A 1
F6 F 0.3696(12) 0.9552(8) 0.0426(11) 0.081(4) Uani 0.642(7) 1 d PU A 1
F4' F 0.299(3) 0.9688(14) 0.0842(16) 0.073(3) Uani 0.358(7) 1 d P A 2
F5' F 0.154(2) 0.9060(14) -0.0174(17) 0.073(3) Uani 0.358(7) 1 d P A 2
F6' F 0.334(2) 0.9152(15) -0.042(2) 0.081(4) Uani 0.358(7) 1 d P A 2
Pt2 Pt 0.5000 0.5000 0.0000 0.01960(12) Uani 1 2 d S . .
N7 N 0.6044(6) 0.5974(4) 0.0880(5) 0.0183(15) Uani 1 1 d . . .
N8 N 0.4720(6) 0.6098(5) -0.0634(5) 0.0211(16) Uani 1 1 d . . .
N9 N 0.3991(7) 0.6201(5) -0.1403(5) 0.0264(17) Uani 1 1 d . . .
C35 C 0.6708(7) 0.5805(6) 0.1672(6) 0.0211(19) Uani 1 1 d . . .
H35 H 0.6691 0.5208 0.1829 0.025 Uiso 1 1 calc R . .
C36 C 0.7392(8) 0.6467(6) 0.2243(6) 0.024(2) Uani 1 1 d . . .
H36 H 0.7806 0.6330 0.2807 0.029 Uiso 1 1 calc R . .
C37 C 0.7505(8) 0.7341(6) 0.2024(6) 0.0217(18) Uani 1 1 d . . .
C38 C 0.8257(8) 0.8052(6) 0.2574(6) 0.027(2) Uani 1 1 d . . .
H38 H 0.8661 0.7936 0.3150 0.032 Uiso 1 1 calc R . .
C39 C 0.8432(8) 0.8886(6) 0.2324(6) 0.030(2) Uani 1 1 d . . .
C40 C 0.7761(10) 0.9058(7) 0.1479(7) 0.047(3) Uani 1 1 d . . .
H40 H 0.7853 0.9641 0.1290 0.056 Uiso 1 1 calc R . .
C41 C 0.6994(9) 0.8409(6) 0.0938(7) 0.039(3) Uani 1 1 d . . .
H41 H 0.6559 0.8549 0.0381 0.047 Uiso 1 1 calc R . .
C42 C 0.6830(7) 0.7523(6) 0.1189(6) 0.025(2) Uani 1 1 d . . .
C43 C 0.6081(7) 0.6823(6) 0.0633(6) 0.0218(19) Uani 1 1 d . . .
C44 C 0.5324(8) 0.6891(6) -0.0212(6) 0.026(2) Uani 1 1 d . . .
C45 C 0.4939(8) 0.7539(6) -0.0769(6) 0.027(2) Uani 1 1 d . . .
H45 H 0.5182 0.8164 -0.0676 0.032 Uiso 1 1 calc R . .
C46 C 0.4142(8) 0.7087(6) -0.1474(6) 0.0247(19) Uani 1 1 d . . .
C47 C 0.3425(9) 0.7443(6) -0.2246(7) 0.033(2) Uani 1 1 d . . .
C48 C 0.9343(9) 0.9632(6) 0.2861(7) 0.035(2) Uani 1 1 d . . .
C49 C 0.8774(11) 1.0504(8) 0.2927(10) 0.065(4) Uani 1 1 d . . .
H49A H 0.8451 1.0653 0.2323 0.097 Uiso 1 1 calc R . .
H49B H 0.9400 1.0980 0.3230 0.097 Uiso 1 1 calc R . .
H49C H 0.8104 1.0444 0.3271 0.097 Uiso 1 1 calc R . .
C50 C 0.9822(11) 0.9409(8) 0.3807(7) 0.057(3) Uani 1 1 d . . .
H50A H 1.0421 0.9896 0.4120 0.085 Uiso 1 1 calc R . .
H50B H 1.0216 0.8853 0.3776 0.085 Uiso 1 1 calc R . .
H50C H 0.9136 0.9333 0.4135 0.085 Uiso 1 1 calc R . .
C51 C 1.0418(10) 0.9755(8) 0.2359(8) 0.058(4) Uani 1 1 d . . .
H51A H 1.0147 1.0012 0.1797 0.087 Uiso 1 1 calc R . .
H51B H 1.0715 0.9174 0.2227 0.087 Uiso 1 1 calc R . .
H51C H 1.1083 1.0159 0.2733 0.087 Uiso 1 1 calc R . .
F7 F 0.3859(6) 0.8272(4) -0.2341(5) 0.061(2) Uani 1 1 d . . .
F8 F 0.2247(5) 0.7488(5) -0.2189(5) 0.0552(18) Uani 1 1 d . . .
F9 F 0.3423(7) 0.6963(5) -0.3021(4) 0.068(2) Uani 1 1 d . . .
C52 C 0.5291(7) 0.9980(5) 0.5926(4) 0.150 Uiso 0.50 1 d PRD B -1
C53 C 0.4117(7) 0.9675(5) 0.5469(4) 0.150 Uiso 0.50 1 d PR B -1
H53A H 0.3510 0.9447 0.5788 0.180 Uiso 0.50 1 calc PR B -1
C54 C 0.3829(7) 0.9706(5) 0.4546(4) 0.150 Uiso 0.50 1 d PR B -1
H54A H 0.3026 0.9498 0.4234 0.180 Uiso 0.50 1 calc PR B -1
C55 C 0.4716(7) 1.0040(5) 0.4080(4) 0.150 Uiso 0.50 1 d PRD B -1
C56 C 0.5891(7) 1.0345(5) 0.4537(4) 0.150 Uiso 0.50 1 d PR B -1
H56A H 0.6497 1.0573 0.4219 0.180 Uiso 0.50 1 calc PR B -1
C57 C 0.6178(7) 1.0314(5) 0.5460(4) 0.150 Uiso 0.50 1 d PR B -1
H57A H 0.6981 1.0522 0.5772 0.180 Uiso 0.50 1 calc PR B -1
C58 C 0.5344(7) 0.9882(5) 0.6890(4) 0.200 Uiso 0.50 1 d PRD B -1
H58A H 0.4544 0.9619 0.6988 0.300 Uiso 0.50 1 calc PR B -1
H58B H 0.5546 1.0471 0.7234 0.300 Uiso 0.50 1 calc PR B -1
H58C H 0.5976 0.9492 0.7089 0.300 Uiso 0.50 1 calc PR B -1
C59 C 0.4664(7) 1.0138(5) 0.3116(4) 0.200 Uiso 0.50 1 d PRD B -1
H59A H 0.5463 1.0401 0.3018 0.300 Uiso 0.50 1 calc PR B -1
H59B H 0.4032 1.0528 0.2918 0.300 Uiso 0.50 1 calc PR B -1
H59C H 0.4461 0.9549 0.2772 0.300 Uiso 0.50 1 calc PR B -1


_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 N5 2.009(7) . ?
Pt1 N2 2.010(7) . ?
Pt1 N4 2.033(7) . ?
Pt1 N1 2.041(7) . ?
N1 C9 1.339(11) . ?
N1 C1 1.358(11) . ?
N2 N3 1.322(10) . ?
N2 C10 1.357(11) . ?
N3 C12 1.348(11) . ?
N4 C18 1.353(11) . ?
N4 C26 1.399(11) . ?
N5 N6 1.341(10) . ?
N5 C27 1.354(11) . ?
N6 C29 1.348(11) . ?
C1 C2 1.339(12) . ?
C2 C3 1.411(12) . ?
C3 C8 1.391(12) . ?
C3 C4 1.406(12) . ?
C4 C5 1.379(12) . ?
C5 C6 1.408(14) . ?
C5 C14 1.528(13) . ?
C6 C7 1.341(13) . ?
C7 C8 1.428(12) . ?
C8 C9 1.493(11) . ?
C9 C10 1.408(12) . ?
C10 C11 1.390(12) . ?
C11 C12 1.368(13) . ?
C12 C13 1.485(14) . ?
C13 F1 1.322(13) . ?
C13 F3 1.334(12) . ?
C13 F2 1.339(12) . ?
C14 C15 1.43(2) . ?
C14 C16 1.509(17) . ?
C14 C17' 1.51(4) . ?
C14 C15' 1.60(4) . ?
C14 C17 1.59(2) . ?
C14 C16' 1.63(3) . ?
C18 C19 1.352(12) . ?
C19 C20 1.419(12) . ?
C20 C21 1.394(12) . ?
C20 C25 1.441(12) . ?
C21 C22 1.377(12) . ?
C22 C23 1.408(13) . ?
C22 C31 1.534(13) . ?
C23 C24 1.344(13) . ?
C24 C25 1.419(12) . ?
C25 C26 1.344(13) . ?
C26 C27 1.462(12) . ?
C27 C28 1.387(12) . ?
C28 C29 1.376(13) . ?
C29 C30 1.487(13) . ?
C30 F4 1.301(15) . ?
C30 F6' 1.32(3) . ?
C30 F6 1.314(15) . ?
C30 F5 1.319(15) . ?
C30 F4' 1.35(3) . ?
C30 F5' 1.36(3) . ?
C31 C32 1.526(14) . ?
C31 C34 1.532(13) . ?
C31 C33 1.533(13) . ?
Pt2 N8 2.005(7) . ?
Pt2 N8 2.005(7) 2_665 ?
Pt2 N7 2.035(7) 2_665 ?
Pt2 N7 2.035(7) . ?
N7 C35 1.357(11) . ?
N7 C43 1.364(10) . ?
N8 N9 1.334(10) . ?
N8 C44 1.372(11) . ?
N9 C46 1.349(11) . ?
C35 C36 1.352(12) . ?
C36 C37 1.387(12) . ?
C37 C38 1.416(11) . ?
C37 C42 1.422(12) . ?
C38 C39 1.351(12) . ?
C39 C40 1.429(13) . ?
C39 C48 1.525(12) . ?
C40 C41 1.358(13) . ?
C41 C42 1.426(12) . ?
C42 C43 1.407(12) . ?
C43 C44 1.428(12) . ?
C44 C45 1.394(12) . ?
C45 C46 1.360(12) . ?
C46 C47 1.472(13) . ?
C47 F7 1.328(10) . ?
C47 F9 1.328(12) . ?
C47 F8 1.332(11) . ?
C48 C49 1.511(15) . ?
C48 C50 1.522(14) . ?
C48 C51 1.526(15) . ?
C52 C53 1.3900 . ?
C52 C57 1.3901 . ?
C52 C58 1.4758 . ?
C53 C54 1.3901 . ?
C54 C55 1.3899 . ?
C55 C56 1.3900 . ?
C55 C59 1.4756 . ?
C56 C57 1.3899 . ?

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
N5 Pt1 N2 175.8(3) . . ?
N5 Pt1 N4 78.5(3) . . ?
N2 Pt1 N4 101.4(3) . . ?
N5 Pt1 N1 101.5(3) . . ?
N2 Pt1 N1 78.7(3) . . ?
N4 Pt1 N1 178.6(3) . . ?
C9 N1 C1 123.3(8) . . ?
C9 N1 Pt1 114.2(6) . . ?
C1 N1 Pt1 122.4(6) . . ?
N3 N2 C10 112.7(7) . . ?
N3 N2 Pt1 131.1(6) . . ?
C10 N2 Pt1 116.1(6) . . ?
N2 N3 C12 104.2(7) . . ?
C18 N4 C26 117.3(7) . . ?
C18 N4 Pt1 124.3(6) . . ?
C26 N4 Pt1 118.4(6) . . ?
N6 N5 C27 113.1(7) . . ?
N6 N5 Pt1 130.8(6) . . ?
C27 N5 Pt1 116.0(6) . . ?
N5 N6 C29 103.3(7) . . ?
C2 C1 N1 121.2(8) . . ?
C1 C2 C3 121.3(9) . . ?
C8 C3 C4 119.2(9) . . ?
C8 C3 C2 118.2(9) . . ?
C4 C3 C2 122.6(9) . . ?
C5 C4 C3 122.4(9) . . ?
C4 C5 C6 116.0(9) . . ?
C4 C5 C14 121.7(9) . . ?
C6 C5 C14 122.2(9) . . ?
C7 C6 C5 124.2(9) . . ?
C6 C7 C8 118.9(9) . . ?
C3 C8 C7 119.0(8) . . ?
C3 C8 C9 119.1(8) . . ?
C7 C8 C9 121.9(8) . . ?
N1 C9 C10 116.8(7) . . ?
N1 C9 C8 116.9(8) . . ?
C10 C9 C8 126.2(8) . . ?
N2 C10 C11 106.2(8) . . ?
N2 C10 C9 114.1(7) . . ?
C11 C10 C9 139.7(9) . . ?
C12 C11 C10 104.3(8) . . ?
N3 C12 C11 112.6(9) . . ?
N3 C12 C13 119.2(9) . . ?
C11 C12 C13 128.2(9) . . ?
F1 C13 F3 106.3(9) . . ?
F1 C13 F2 105.5(9) . . ?
F3 C13 F2 106.5(9) . . ?
F1 C13 C12 114.2(9) . . ?
F3 C13 C12 111.1(9) . . ?
F2 C13 C12 112.7(9) . . ?
C15 C14 C16 114.7(13) . . ?
C15 C14 C5 107.4(11) . . ?
C16 C14 C5 110.1(9) . . ?
C15 C14 C17' 130(2) . . ?
C16 C14 C17' 80.4(18) . . ?
C5 C14 C17' 111.1(18) . . ?
C15 C14 C15' 34.9(15) . . ?
C16 C14 C15' 137.5(17) . . ?
C5 C14 C15' 108.7(16) . . ?
C17' C14 C15' 101(2) . . ?
C15 C14 C17 104.6(14) . . ?
C16 C14 C17 107.6(12) . . ?
C5 C14 C17 112.4(11) . . ?
C17' C14 C17 30.4(16) . . ?
C15' C14 C17 72.0(17) . . ?
C15 C14 C16' 61.3(14) . . ?
C16 C14 C16' 55.4(12) . . ?
C5 C14 C16' 113.2(12) . . ?
C17' C14 C16' 125(2) . . ?
C15' C14 C16' 93.5(19) . . ?
C17 C14 C16' 134.4(15) . . ?
C19 C18 N4 123.2(8) . . ?
C18 C19 C20 120.6(8) . . ?
C21 C20 C19 123.2(8) . . ?
C21 C20 C25 120.6(8) . . ?
C19 C20 C25 116.2(8) . . ?
C22 C21 C20 121.9(9) . . ?
C21 C22 C23 118.3(9) . . ?
C21 C22 C31 122.6(9) . . ?
C23 C22 C31 119.0(8) . . ?
C24 C23 C22 120.4(9) . . ?
C23 C24 C25 124.3(9) . . ?
C26 C25 C24 125.7(9) . . ?
C26 C25 C20 119.8(8) . . ?
C24 C25 C20 114.5(8) . . ?
C25 C26 N4 122.7(8) . . ?
C25 C26 C27 128.2(8) . . ?
N4 C26 C27 109.1(8) . . ?
N5 C27 C28 106.3(8) . . ?
N5 C27 C26 117.9(8) . . ?
C28 C27 C26 135.8(9) . . ?
C29 C28 C27 104.4(8) . . ?
N6 C29 C28 112.9(8) . . ?
N6 C29 C30 119.4(9) . . ?
C28 C29 C30 127.7(9) . . ?
F4 C30 F6' 130.2(14) . . ?
F4 C30 F6 110.0(12) . . ?
F6' C30 F6 61.7(13) . . ?
F4 C30 F5 102.1(11) . . ?
F6' C30 F5 48.0(11) . . ?
F6 C30 F5 107.3(12) . . ?
F4 C30 F4' 64.9(12) . . ?
F6' C30 F4' 105.6(17) . . ?
F6 C30 F4' 49.3(11) . . ?
F5 C30 F4' 134.7(13) . . ?
F4 C30 F5' 43.6(11) . . ?
F6' C30 F5' 102.3(17) . . ?
F6 C30 F5' 131.9(13) . . ?
F5 C30 F5' 60.4(12) . . ?
F4' C30 F5' 103.7(16) . . ?
F4 C30 C29 112.8(11) . . ?
F6' C30 C29 115.6(13) . . ?
F6 C30 C29 111.1(10) . . ?
F5 C30 C29 113.0(10) . . ?
F4' C30 C29 111.9(12) . . ?
F5' C30 C29 116.4(13) . . ?
C32 C31 C34 109.5(9) . . ?
C32 C31 C22 106.3(8) . . ?
C34 C31 C22 111.2(8) . . ?
C32 C31 C33 108.7(9) . . ?
C34 C31 C33 107.9(8) . . ?
C22 C31 C33 113.2(8) . . ?
N8 Pt2 N8 179.999(1) . 2_665 ?
N8 Pt2 N7 102.0(3) . 2_665 ?
N8 Pt2 N7 78.0(3) 2_665 2_665 ?
N8 Pt2 N7 78.0(3) . . ?
N8 Pt2 N7 102.0(3) 2_665 . ?
N7 Pt2 N7 180.0(3) 2_665 . ?
C35 N7 C43 120.0(7) . . ?
C35 N7 Pt2 122.9(6) . . ?
C43 N7 Pt2 117.0(6) . . ?
N9 N8 C44 112.6(7) . . ?
N9 N8 Pt2 130.5(6) . . ?
C44 N8 Pt2 116.8(6) . . ?
N8 N9 C46 104.2(7) . . ?
C36 C35 N7 121.5(8) . . ?
C35 C36 C37 121.6(9) . . ?
C36 C37 C38 124.1(8) . . ?
C36 C37 C42 117.3(8) . . ?
C38 C37 C42 118.6(8) . . ?
C39 C38 C37 123.5(9) . . ?
C38 C39 C40 117.3(8) . . ?
C38 C39 C48 124.2(9) . . ?
C40 C39 C48 118.4(8) . . ?
C41 C40 C39 121.6(9) . . ?
C40 C41 C42 121.3(9) . . ?
C43 C42 C37 119.3(8) . . ?
C43 C42 C41 123.0(9) . . ?
C37 C42 C41 117.6(8) . . ?
N7 C43 C42 120.1(8) . . ?
N7 C43 C44 113.2(8) . . ?
C42 C43 C44 126.7(8) . . ?
N8 C44 C45 105.2(8) . . ?
N8 C44 C43 114.9(8) . . ?
C45 C44 C43 139.9(9) . . ?
C46 C45 C44 105.5(8) . . ?
N9 C46 C45 112.6(8) . . ?
N9 C46 C47 118.6(8) . . ?
C45 C46 C47 128.8(8) . . ?
F7 C47 F9 106.4(9) . . ?
F7 C47 F8 105.2(8) . . ?
F9 C47 F8 105.6(8) . . ?
F7 C47 C46 111.8(8) . . ?
F9 C47 C46 113.1(8) . . ?
F8 C47 C46 114.0(8) . . ?
C49 C48 C50 108.4(10) . . ?
C49 C48 C39 111.4(9) . . ?
C50 C48 C39 112.3(8) . . ?
C49 C48 C51 108.4(9) . . ?
C50 C48 C51 109.1(9) . . ?
C39 C48 C51 107.2(9) . . ?
C53 C52 C57 120.0 . . ?
C53 C52 C58 108.9 . . ?
C57 C52 C58 131.1 . . ?
C52 C53 C54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C54 C55 C56 120.0 . . ?
C54 C55 C59 131.1 . . ?
C56 C55 C59 108.9 . . ?
C57 C56 C55 120.0 . . ?
C56 C57 C52 120.0 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.991
_refine_diff_density_min         -2.254
_refine_diff_density_rms         0.327
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ic16317
_database_code_depnum_ccdc_archive 'CCDC 1026841'
_audit_update_record             
;
2014-09-30 deposited with the CCDC.
2014-12-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H46 F6 N6 Pt'
_chemical_formula_weight         1040.02

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   8.8284(11)
_cell_length_b                   9.0348(11)
_cell_length_c                   14.3205(18)
_cell_angle_alpha                96.191(2)
_cell_angle_beta                 105.828(2)
_cell_angle_gamma                90.578(2)
_cell_volume                     1091.6(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    3465
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      25.98

_exptl_crystal_description       block
_exptl_crystal_colour            orange-yellow
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             520
_exptl_absorpt_coefficient_mu    3.282
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6941
_exptl_absorpt_correction_T_max  0.8531
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(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  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13773
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_av_sigmaI/netI    0.0711
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.49
_diffrn_reflns_theta_max         27.50
_reflns_number_total             5007
_reflns_number_gt                4968
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. The isotropic and distance 
 restraints are used to the disordered atoms of C21, F1, F2 and F3. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0443P)²+0.0000P] where P=(Fo²+2Fc²)/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         5007
_refine_ls_number_parameters     302
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0373
_refine_ls_wR_factor_ref         0.0924
_refine_ls_wR_factor_gt          0.0817
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.095
_refine_ls_shift/su_max          0.000
_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
Pt Pt 0.0000 0.0000 0.0000 0.01691(9) Uani 1 2 d S . .
N1 N 0.1708(5) 0.1496(4) 0.0838(3) 0.0242(8) Uani 1 1 d . . .
N2 N 0.1478(5) 0.0074(5) -0.0832(3) 0.0295(9) Uani 1 1 d . . .
N3 N 0.1303(5) -0.0465(5) -0.1770(3) 0.0326(10) Uani 1 1 d . . .
C1 C 0.1578(6) 0.2329(5) 0.1664(3) 0.0249(10) Uani 1 1 d . . .
H1 H 0.0662 0.2177 0.1874 0.030 Uiso 1 1 calc R . .
C2 C 0.2688(6) 0.3361(5) 0.2199(3) 0.0261(10) Uani 1 1 d . . .
C3 C 0.4114(7) 0.3518(6) 0.1932(4) 0.0354(12) Uani 1 1 d . . .
C4 C 0.5392(8) 0.4488(7) 0.2501(5) 0.0498(16) Uani 1 1 d . . .
H4 H 0.5298 0.5069 0.3075 0.060 Uiso 1 1 calc R . .
C5 C 0.6739(9) 0.4587(9) 0.2230(6) 0.068(2) Uani 1 1 d . . .
H5 H 0.7583 0.5244 0.2609 0.082 Uiso 1 1 calc R . .
C6 C 0.6892(9) 0.3718(10) 0.1387(6) 0.074(3) Uani 1 1 d . . .
H6 H 0.7851 0.3785 0.1211 0.089 Uiso 1 1 calc R . .
C7 C 0.5710(7) 0.2792(8) 0.0822(5) 0.0554(19) Uani 1 1 d . . .
H7 H 0.5843 0.2222 0.0254 0.066 Uiso 1 1 calc R . .
C8 C 0.4265(6) 0.2664(6) 0.1073(4) 0.0359(12) Uani 1 1 d . . .
C9 C 0.2975(6) 0.1697(6) 0.0509(4) 0.0297(11) Uani 1 1 d . . .
C10 C 0.2808(6) 0.0938(6) -0.0463(4) 0.0335(12) Uani 1 1 d . . .
C11 C 0.3554(7) 0.0966(7) -0.1200(4) 0.0455(16) Uani 1 1 d . . .
H11 H 0.4517 0.1473 -0.1171 0.055 Uiso 1 1 calc R . .
C12 C 0.2571(7) 0.0084(8) -0.1986(4) 0.0448(15) Uani 1 1 d . A .
C13 C 0.2748(8) -0.0252(9) -0.2993(5) 0.062(2) Uani 1 1 d D . .
C14 C 0.2335(6) 0.4347(6) 0.3018(4) 0.0283(11) Uani 1 1 d . . .
C15 C 0.1779(7) 0.5766(6) 0.2844(4) 0.0357(12) Uani 1 1 d . A .
C16 C 0.1269(7) 0.6615(6) 0.3571(5) 0.0443(15) Uani 1 1 d . . .
H16 H 0.0860 0.7568 0.3458 0.053 Uiso 1 1 calc R . .
C17 C 0.1356(7) 0.6075(7) 0.4450(5) 0.0452(15) Uani 1 1 d . . .
H17 H 0.0997 0.6651 0.4936 0.054 Uiso 1 1 calc R . .
C18 C 0.1965(7) 0.4701(6) 0.4621(4) 0.0397(14) Uani 1 1 d . . .
H18 H 0.2032 0.4350 0.5233 0.048 Uiso 1 1 calc R . .
C19 C 0.2481(6) 0.3818(6) 0.3928(4) 0.0308(11) Uani 1 1 d . . .
C20 C 0.1709(8) 0.6407(7) 0.1887(5) 0.0485(16) Uani 1 1 d D . .
H20 H 0.2443 0.5781 0.1607 0.058 Uiso 0.497(19) 1 calc PR A 1
H20' H 0.2164 0.5718 0.1449 0.058 Uiso 0.503(19) 1 d PR A 2
C21 C 0.018(2) 0.620(2) 0.1104(12) 0.048(3) Uani 0.497(19) 1 d PDU A 1
H21A H 0.0331 0.5549 0.0543 0.073 Uiso 0.497(19) 1 calc PR A 1
H21B H -0.0168 0.7165 0.0899 0.073 Uiso 0.497(19) 1 calc PR A 1
H21C H -0.0611 0.5734 0.1355 0.073 Uiso 0.497(19) 1 calc PR A 1
C21' C -0.0090(17) 0.661(2) 0.1402(13) 0.048(3) Uani 0.503(19) 1 d PD A 2
H21D H -0.0220 0.7019 0.0780 0.073 Uiso 0.503(19) 1 calc PR A 2
H21E H -0.0509 0.7297 0.1839 0.073 Uiso 0.503(19) 1 calc PR A 2
H21F H -0.0662 0.5643 0.1286 0.073 Uiso 0.503(19) 1 calc PR A 2
C22 C 0.2480(9) 0.7960(8) 0.2061(6) 0.061(2) Uani 1 1 d . A .
H22A H 0.2544 0.8270 0.1437 0.091 Uiso 1 1 calc R . .
H22B H 0.3543 0.7952 0.2505 0.091 Uiso 1 1 calc R . .
H22C H 0.1850 0.8660 0.2352 0.091 Uiso 1 1 calc R . .
C23 C 0.3178(7) 0.2319(6) 0.4144(4) 0.0365(13) Uani 1 1 d . . .
H23 H 0.3679 0.1968 0.3617 0.044 Uiso 1 1 calc R . .
C24 C 0.1894(8) 0.1161(7) 0.4127(5) 0.0471(16) Uani 1 1 d . . .
H24A H 0.1361 0.1494 0.4626 0.071 Uiso 1 1 calc R . .
H24B H 0.2371 0.0205 0.4264 0.071 Uiso 1 1 calc R . .
H24C H 0.1127 0.1042 0.3482 0.071 Uiso 1 1 calc R . .
C25 C 0.4463(8) 0.2454(7) 0.5122(5) 0.0542(18) Uani 1 1 d . . .
H25A H 0.5215 0.3271 0.5143 0.081 Uiso 1 1 calc R . .
H25B H 0.5015 0.1519 0.5188 0.081 Uiso 1 1 calc R . .
H25C H 0.3978 0.2659 0.5660 0.081 Uiso 1 1 calc R . .
F1 F 0.4147(18) 0.018(2) -0.3060(17) 0.063(3) Uani 0.497(19) 1 d PDU A 1
F2 F 0.251(2) -0.1770(18) -0.3301(17) 0.072(4) Uani 0.497(19) 1 d PDU A 1
F3 F 0.171(3) 0.038(2) -0.3659(17) 0.087(4) Uani 0.497(19) 1 d PDU A 1
F1' F 0.4296(17) -0.036(2) -0.2945(17) 0.063(3) Uani 0.503(19) 1 d PD A 2
F2' F 0.203(2) -0.1491(19) -0.3477(17) 0.072(4) Uani 0.503(19) 1 d PD A 2
F3' F 0.208(3) 0.082(2) -0.3547(17) 0.087(4) Uani 0.503(19) 1 d PD A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt N2 1.998(4) . ?
Pt N2 1.998(4) 2 ?
Pt N1 2.040(4) 2 ?
Pt N1 2.040(4) . ?
N1 C9 1.344(6) . ?
N1 C1 1.365(6) . ?
N2 N3 1.346(5) . ?
N2 C10 1.350(7) . ?
N3 C12 1.343(7) . ?
C1 C2 1.354(7) . ?
C2 C3 1.421(7) . ?
C2 C14 1.499(7) . ?
C3 C8 1.419(8) . ?
C3 C4 1.425(8) . ?
C4 C5 1.353(9) . ?
C5 C6 1.407(10) . ?
C6 C7 1.348(9) . ?
C7 C8 1.424(8) . ?
C8 C9 1.428(7) . ?
C9 C10 1.452(7) . ?
C10 C11 1.391(7) . ?
C11 C12 1.383(8) . ?
C12 C13 1.492(8) . ?
C13 F2' 1.311(14) . ?
C13 F3 1.316(15) . ?
C13 F1 1.324(14) . ?
C13 F1' 1.355(15) . ?
C13 F3' 1.356(15) . ?
C13 F2 1.390(15) . ?
C14 C15 1.401(7) . ?
C14 C19 1.409(7) . ?
C15 C16 1.401(8) . ?
C15 C20 1.531(8) . ?
C16 C17 1.382(9) . ?
C17 C18 1.377(9) . ?
C18 C19 1.384(7) . ?
C19 C23 1.521(8) . ?
C20 C21 1.494(14) . ?
C20 C22 1.519(9) . ?
C20 C21' 1.572(14) . ?
C23 C24 1.528(8) . ?
C23 C25 1.535(8) . ?

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 Pt N2 180.0(3) . 2 ?
N2 Pt N1 101.85(16) . 2 ?
N2 Pt N1 78.15(16) 2 2 ?
N2 Pt N1 78.15(16) . . ?
N2 Pt N1 101.85(16) 2 . ?
N1 Pt N1 180.0(3) 2 . ?
C9 N1 C1 120.0(4) . . ?
C9 N1 Pt 116.4(3) . . ?
C1 N1 Pt 123.4(3) . . ?
N3 N2 C10 111.7(4) . . ?
N3 N2 Pt 130.6(3) . . ?
C10 N2 Pt 117.2(3) . . ?
C12 N3 N2 104.7(4) . . ?
C2 C1 N1 123.3(5) . . ?
C1 C2 C3 118.8(5) . . ?
C1 C2 C14 118.8(5) . . ?
C3 C2 C14 122.4(4) . . ?
C8 C3 C2 118.4(5) . . ?
C8 C3 C4 119.2(5) . . ?
C2 C3 C4 122.3(5) . . ?
C5 C4 C3 120.4(6) . . ?
C4 C5 C6 120.0(6) . . ?
C7 C6 C5 121.6(7) . . ?
C6 C7 C8 120.3(6) . . ?
C3 C8 C7 118.4(5) . . ?
C3 C8 C9 118.7(5) . . ?
C7 C8 C9 122.9(5) . . ?
N1 C9 C8 120.3(5) . . ?
N1 C9 C10 113.3(5) . . ?
C8 C9 C10 126.2(5) . . ?
N2 C10 C11 107.3(5) . . ?
N2 C10 C9 114.4(4) . . ?
C11 C10 C9 137.7(5) . . ?
C12 C11 C10 104.0(5) . . ?
N3 C12 C11 112.2(5) . . ?
N3 C12 C13 119.7(5) . . ?
C11 C12 C13 128.1(5) . . ?
F2' C13 F3 83.9(13) . . ?
F2' C13 F1 121.7(14) . . ?
F3 C13 F1 105.8(15) . . ?
F2' C13 F1' 107.0(13) . . ?
F3 C13 F1' 125.2(16) . . ?
F1 C13 F1' 23.4(11) . . ?
F2' C13 F3' 104.2(14) . . ?
F3 C13 F3' 21.4(17) . . ?
F1 C13 F3' 89.3(13) . . ?
F1' C13 F3' 111.5(14) . . ?
F2' C13 F2 21.9(14) . . ?
F3 C13 F2 104.8(13) . . ?
F1 C13 F2 108.7(13) . . ?
F1' C13 F2 89.5(12) . . ?
F3' C13 F2 124.0(14) . . ?
F2' C13 C12 114.8(13) . . ?
F3 C13 C12 113.7(14) . . ?
F1 C13 C12 112.7(11) . . ?
F1' C13 C12 109.4(11) . . ?
F3' C13 C12 109.7(14) . . ?
F2 C13 C12 110.6(12) . . ?
C15 C14 C19 120.9(5) . . ?
C15 C14 C2 118.7(4) . . ?
C19 C14 C2 120.3(5) . . ?
C14 C15 C16 118.6(5) . . ?
C14 C15 C20 122.0(5) . . ?
C16 C15 C20 119.4(5) . . ?
C17 C16 C15 120.5(5) . . ?
C18 C17 C16 120.0(5) . . ?
C17 C18 C19 121.8(5) . . ?
C18 C19 C14 118.0(5) . . ?
C18 C19 C23 120.7(5) . . ?
C14 C19 C23 121.2(5) . . ?
C21 C20 C22 115.3(9) . . ?
C21 C20 C15 117.0(9) . . ?
C22 C20 C15 112.2(5) . . ?
C21 C20 C21' 23.8(8) . . ?
C22 C20 C21' 105.5(8) . . ?
C15 C20 C21' 105.2(8) . . ?
C19 C23 C24 111.0(5) . . ?
C19 C23 C25 111.4(5) . . ?
C24 C23 C25 110.8(5) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.630
_refine_diff_density_min         -1.878
_refine_diff_density_rms         0.180
