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#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
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#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_Pt(TPC)(m-C6H4CN)(p-C6H4CH3)
_audit_creation_method           SHELXL-2013
_shelxl_version_number           2013-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C51 H34 N5 Pt'
_chemical_formula_sum            'C51 H34 N5 Pt'
_chemical_formula_weight         911.92
_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 0.0018 0.0011 'Calculated using XDISP in WinGX (Farrugia, 1999)'
H H 0.0000 0.0000 'Calculated using XDISP in WinGX (Farrugia, 1999)'
N N 0.0039 0.0023 'Calculated using XDISP in WinGX (Farrugia, 1999)'
Pt Pt -0.7634 6.4859 'Calculated using XDISP in WinGX (Farrugia, 1999)'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_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_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.5314(3)
_cell_length_b                   12.4762(5)
_cell_length_c                   16.9813(6)
_cell_angle_alpha                111.157(2)
_cell_angle_beta                 97.191(2)
_cell_angle_gamma                90.470(2)
_cell_volume                     1865.30(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9550
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      44.667
_cell_measurement_theta_min      2.318
_shelx_estimated_absorpt_T_max   0.932
_shelx_estimated_absorpt_T_min   0.659
_exptl_absorpt_coefficient_mu    2.398
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_correction_T_min  0.792
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2012/1 - Bruker AXS, Madison WI'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       lath
_exptl_crystal_F_000             906
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.030
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.0262
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            61462
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        21.277
_diffrn_reflns_theta_max         22.500
_diffrn_reflns_theta_min         2.672
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX II CCD diffractometer'
_diffrn_measurement_method       'ω scans with 0.3 degree steps'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6048
_diffrn_source                   'Advanced Light Source station 11.3.1'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7622
_reflns_number_total             7892
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.32B Bruker-AXS, Madison WI'
_computing_data_collection       
'Bruker APEX-II v2013.6-2 Bruker-AXS, Madison WI'
_computing_data_reduction        'SAINT V8.32B Bruker-AXS, Madison WI'
_computing_molecular_graphics    
;
Bruker SHELXTL Bruker-AXS, Madison WI
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.
and local programs
;
_computing_publication_material  'Bruker SHELXTL Bruker-AXS, Madison WI'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXT 2013/5 Bruker-AXS, Madison WI'
_refine_diff_density_max         4.115
_refine_diff_density_min         -1.093
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         7892
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0259
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0200P)²+4.3272P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0633
_refine_ls_wR_factor_ref         0.0639
_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. All non-hydrogen atoms were 
 refined anisotropically.
 Hydrogen atoms were placed geometrically on the carbon atoms and refined
 with a riding model.
;
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.26353(2) 0.31522(2) 0.26085(2) 0.02205(5) Uani 1 1 d . . . . .
N1 N 0.2610(3) 0.2704(2) 0.35893(17) 0.0259(6) Uani 1 1 d . . . . .
N2 N 0.0703(3) 0.2490(2) 0.21187(16) 0.0239(5) Uani 1 1 d . . . . .
N3 N 0.2908(3) 0.3693(2) 0.16794(16) 0.0239(5) Uani 1 1 d . . . . .
N4 N 0.4531(3) 0.3709(2) 0.32023(17) 0.0257(5) Uani 1 1 d . . . . .
N5 N 0.3507(4) 0.8691(3) 0.3862(2) 0.0489(9) Uani 1 1 d . . . . .
C1 C 0.3782(3) 0.2990(3) 0.4182(2) 0.0269(6) Uani 1 1 d . . . . .
C2 C 0.3517(4) 0.2533(3) 0.4812(2) 0.0304(7) Uani 1 1 d . . . . .
H2A H 0.4140 0.2599 0.5312 0.037 Uiso 1 1 calc R U . . .
C3 C 0.2200(4) 0.1982(3) 0.4564(2) 0.0306(7) Uani 1 1 d . . . . .
H3A H 0.1750 0.1596 0.4863 0.037 Uiso 1 1 calc R U . . .
C4 C 0.1608(3) 0.2084(3) 0.3773(2) 0.0264(6) Uani 1 1 d . . . . .
C5 C 0.0305(3) 0.1705(3) 0.3239(2) 0.0255(6) Uani 1 1 d . . . . .
C6 C -0.0107(3) 0.1908(3) 0.2460(2) 0.0248(6) Uani 1 1 d . . . . .
C7 C -0.1386(4) 0.1485(3) 0.1868(2) 0.0290(7) Uani 1 1 d . . . . .
H7A H -0.2159 0.1057 0.1937 0.035 Uiso 1 1 calc R U . . .
C8 C -0.1290(4) 0.1810(3) 0.1191(2) 0.0285(7) Uani 1 1 d . . . . .
H8A H -0.1986 0.1649 0.0705 0.034 Uiso 1 1 calc R U . . .
C9 C 0.0040(3) 0.2435(3) 0.1339(2) 0.0251(6) Uani 1 1 d . . . . .
C10 C 0.0626(3) 0.2889(3) 0.07939(19) 0.0241(6) Uani 1 1 d . . . . .
C11 C 0.1967(3) 0.3492(3) 0.09543(19) 0.0240(6) Uani 1 1 d . . . . .
C12 C 0.2639(3) 0.3913(3) 0.0409(2) 0.0269(6) Uani 1 1 d . . . . .
H12A H 0.2244 0.3882 -0.0142 0.032 Uiso 1 1 calc R U . . .
C13 C 0.3952(4) 0.4369(3) 0.0822(2) 0.0267(6) Uani 1 1 d . . . . .
H13A H 0.4628 0.4721 0.0612 0.032 Uiso 1 1 calc R U . . .
C14 C 0.4135(3) 0.4227(3) 0.1630(2) 0.0247(6) Uani 1 1 d . . . . .
C15 C 0.5366(3) 0.4555(3) 0.2264(2) 0.0255(6) Uani 1 1 d . . . . .
C16 C 0.5551(3) 0.4302(3) 0.3014(2) 0.0260(6) Uani 1 1 d . . . . .
C17 C 0.6668(3) 0.4587(3) 0.3725(2) 0.0290(7) Uani 1 1 d . . . . .
H17A H 0.7537 0.5005 0.3785 0.035 Uiso 1 1 calc R U . . .
C18 C 0.6258(4) 0.4149(3) 0.4301(2) 0.0296(7) Uani 1 1 d . . . . .
H18A H 0.6793 0.4205 0.4827 0.036 Uiso 1 1 calc R U . . .
C19 C 0.4883(3) 0.3595(3) 0.3967(2) 0.0268(7) Uani 1 1 d . . . . .
C20 C -0.0704(4) 0.1010(3) 0.3485(2) 0.0273(7) Uani 1 1 d . . . . .
C21 C -0.0284(4) 0.0007(3) 0.3610(2) 0.0344(8) Uani 1 1 d . . . . .
H21A H 0.0646 -0.0236 0.3528 0.041 Uiso 1 1 calc R U . . .
C22 C -0.1219(5) -0.0635(4) 0.3853(3) 0.0420(9) Uani 1 1 d . . . . .
H22A H -0.0935 -0.1328 0.3920 0.050 Uiso 1 1 calc R U . . .
C23 C -0.2556(4) -0.0272(4) 0.3996(3) 0.0429(9) Uani 1 1 d . . . . .
H23A H -0.3189 -0.0710 0.4169 0.052 Uiso 1 1 calc R U . . .
C24 C -0.2978(4) 0.0733(4) 0.3890(2) 0.0383(8) Uani 1 1 d . . . . .
H24A H -0.3891 0.0993 0.4003 0.046 Uiso 1 1 calc R U . . .
C25 C -0.2067(4) 0.1360(3) 0.3617(2) 0.0311(7) Uani 1 1 d . . . . .
H25A H -0.2375 0.2030 0.3521 0.037 Uiso 1 1 calc R U . . .
C26 C -0.0216(3) 0.2620(3) -0.0068(2) 0.0251(6) Uani 1 1 d . . . . .
C27 C -0.0939(4) 0.3441(3) -0.0290(2) 0.0316(7) Uani 1 1 d . . . . .
H27A H -0.0873 0.4217 0.0098 0.038 Uiso 1 1 calc R U . . .
C28 C -0.1768(4) 0.3138(3) -0.1084(2) 0.0376(8) Uani 1 1 d . . . . .
H28A H -0.2258 0.3711 -0.1235 0.045 Uiso 1 1 calc R U . . .
C29B C -0.1882(4) 0.2017(3) -0.1650(2) 0.0361(8) Uani 1 1 d . . . . .
H29A H -0.2473 0.1810 -0.2182 0.043 Uiso 1 1 calc R U . . .
C30 C -0.1131(4) 0.1194(3) -0.1439(2) 0.0363(8) Uani 1 1 d . . . . .
H30A H -0.1181 0.0424 -0.1835 0.044 Uiso 1 1 calc R U . . .
C31 C -0.0305(4) 0.1489(3) -0.0651(2) 0.0323(7) Uani 1 1 d . . . . .
H31A H 0.0203 0.0918 -0.0507 0.039 Uiso 1 1 calc R U . . .
C32 C 0.6512(3) 0.5272(3) 0.2141(2) 0.0272(7) Uani 1 1 d . . . . .
C33 C 0.7884(4) 0.4927(3) 0.2116(2) 0.0326(7) Uani 1 1 d . . . . .
H33A H 0.8105 0.4204 0.2154 0.039 Uiso 1 1 calc R U . . .
C34 C 0.8945(4) 0.5639(4) 0.2034(2) 0.0370(8) Uani 1 1 d . . . . .
H34A H 0.9884 0.5394 0.2007 0.044 Uiso 1 1 calc R U . . .
C35 C 0.8643(4) 0.6688(4) 0.1993(2) 0.0392(9) Uani 1 1 d . . . . .
H35A H 0.9376 0.7171 0.1945 0.047 Uiso 1 1 calc R U . . .
C36 C 0.7281(4) 0.7048(4) 0.2022(3) 0.0407(9) Uani 1 1 d . . . . .
H36A H 0.7079 0.7780 0.1996 0.049 Uiso 1 1 calc R U . . .
C37 C 0.6205(4) 0.6343(3) 0.2089(2) 0.0349(8) Uani 1 1 d . . . . .
H37A H 0.5263 0.6585 0.2099 0.042 Uiso 1 1 calc R U . . .
C38 C 0.1896(3) 0.4771(3) 0.3309(2) 0.0254(6) Uani 1 1 d . . . . .
C39 C 0.2553(4) 0.5789(3) 0.3343(2) 0.0297(7) Uani 1 1 d . . . . .
H39A H 0.3308 0.5749 0.3020 0.036 Uiso 1 1 calc R U . . .
C40 C 0.2137(4) 0.6872(3) 0.3840(2) 0.0305(7) Uani 1 1 d . . . . .
C41 C 0.1028(4) 0.6956(3) 0.4316(2) 0.0338(8) Uani 1 1 d . . . . .
H41A H 0.0735 0.7686 0.4651 0.041 Uiso 1 1 calc R U . . .
C42 C 0.0363(4) 0.5956(3) 0.4291(2) 0.0336(8) Uani 1 1 d . . . . .
H42A H -0.0394 0.5997 0.4614 0.040 Uiso 1 1 calc R U . . .
C43 C 0.0795(3) 0.4877(3) 0.3793(2) 0.0296(7) Uani 1 1 d . . . . .
H43A H 0.0322 0.4200 0.3786 0.036 Uiso 1 1 calc R U . . .
C44 C 0.2878(4) 0.7892(3) 0.3859(2) 0.0371(8) Uani 1 1 d . . . . .
C45 C 0.3430(3) 0.1550(3) 0.1936(2) 0.0270(6) Uani 1 1 d . . . . .
C46 C 0.4198(4) 0.0926(3) 0.2355(2) 0.0342(8) Uani 1 1 d . . . . .
H46A H 0.4361 0.1224 0.2960 0.041 Uiso 1 1 calc R U . . .
C47 C 0.4733(4) -0.0119(3) 0.1915(2) 0.0374(8) Uani 1 1 d . . . . .
H47A H 0.5259 -0.0519 0.2224 0.045 Uiso 1 1 calc R U . . .
C48 C 0.4513(4) -0.0590(3) 0.1032(2) 0.0338(7) Uani 1 1 d . . . . .
C49 C 0.3760(4) 0.0036(3) 0.0614(2) 0.0314(7) Uani 1 1 d . . . . .
H49A H 0.3608 -0.0258 0.0008 0.038 Uiso 1 1 calc R U . . .
C50 C 0.3223(4) 0.1073(3) 0.1048(2) 0.0297(7) Uani 1 1 d . . . . .
H50A H 0.2701 0.1471 0.0737 0.036 Uiso 1 1 calc R U . . .
C51 C 0.5060(5) -0.1733(3) 0.0548(3) 0.0437(9) Uani 1 1 d . . . . .
H51D H 0.4692 -0.2322 0.0737 0.066 Uiso 1 1 calc R U . . .
H51A H 0.6097 -0.1682 0.0654 0.066 Uiso 1 1 calc R U . . .
H51B H 0.4747 -0.1940 -0.0063 0.066 Uiso 1 1 calc R U . . .


_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 N1 1.942(3) . ?
Pt1 N2 1.965(3) . ?
Pt1 N3 1.970(3) . ?
Pt1 N4 1.945(3) . ?
Pt1 C38 2.119(3) . ?
Pt1 C45 2.114(3) . ?
N1 C1 1.357(4) . ?
N1 C4 1.358(4) . ?
N2 C6 1.366(4) . ?
N2 C9 1.372(4) . ?
N3 C11 1.371(4) . ?
N3 C14 1.367(4) . ?
N4 C16 1.353(4) . ?
N4 C19 1.357(4) . ?
N5 C44 1.158(5) . ?
C1 C2 1.427(5) . ?
C1 C19 1.445(5) . ?
C2 H2A 0.9500 . ?
C2 C3 1.367(5) . ?
C3 H3A 0.9500 . ?
C3 C4 1.440(4) . ?
C4 C5 1.410(5) . ?
C5 C6 1.442(4) . ?
C5 C20 1.485(5) . ?
C6 C7 1.441(4) . ?
C7 H7A 0.9500 . ?
C7 C8 1.361(5) . ?
C8 H8A 0.9500 . ?
C8 C9 1.428(5) . ?
C9 C10 1.412(4) . ?
C10 C11 1.422(4) . ?
C10 C26 1.499(4) . ?
C11 C12 1.429(4) . ?
C12 H12A 0.9500 . ?
C12 C13 1.365(5) . ?
C13 H13A 0.9500 . ?
C13 C14 1.435(4) . ?
C14 C15 1.436(4) . ?
C15 C16 1.411(5) . ?
C15 C32 1.487(5) . ?
C16 C17 1.442(4) . ?
C17 H17A 0.9500 . ?
C17 C18 1.373(5) . ?
C18 H18A 0.9500 . ?
C18 C19 1.426(5) . ?
C20 C21 1.396(5) . ?
C20 C25 1.393(5) . ?
C21 H21A 0.9500 . ?
C21 C22 1.387(5) . ?
C22 H22A 0.9500 . ?
C22 C23 1.377(6) . ?
C23 H23A 0.9500 . ?
C23 C24 1.385(6) . ?
C24 H24A 0.9500 . ?
C24 C25 1.389(5) . ?
C25 H25A 0.9500 . ?
C26 C27 1.376(5) . ?
C26 C31 1.396(5) . ?
C27 H27A 0.9500 . ?
C27 C28 1.394(5) . ?
C28 H28A 0.9500 . ?
C28 C29B 1.376(6) . ?
C29B H29A 0.9500 . ?
C29B C30 1.381(6) . ?
C30 H30A 0.9500 . ?
C30 C31 1.386(5) . ?
C31 H31A 0.9500 . ?
C32 C33 1.381(5) . ?
C32 C37 1.401(5) . ?
C33 H33A 0.9500 . ?
C33 C34 1.393(5) . ?
C34 H34A 0.9500 . ?
C34 C35 1.365(6) . ?
C35 H35A 0.9500 . ?
C35 C36 1.378(6) . ?
C36 H36A 0.9500 . ?
C36 C37 1.388(5) . ?
C37 H37A 0.9500 . ?
C38 C39 1.391(5) . ?
C38 C43 1.391(5) . ?
C39 H39A 0.9500 . ?
C39 C40 1.401(5) . ?
C40 C41 1.392(5) . ?
C40 C44 1.438(6) . ?
C41 H41A 0.9500 . ?
C41 C42 1.380(6) . ?
C42 H42A 0.9500 . ?
C42 C43 1.404(5) . ?
C43 H43A 0.9500 . ?
C45 C46 1.388(5) . ?
C45 C50 1.393(5) . ?
C46 H46A 0.9500 . ?
C46 C47 1.386(5) . ?
C47 H47A 0.9500 . ?
C47 C48 1.386(5) . ?
C48 C49 1.383(5) . ?
C48 C51 1.501(5) . ?
C49 H49A 0.9500 . ?
C49 C50 1.377(5) . ?
C50 H50A 0.9500 . ?
C51 H51D 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 N2 92.65(11) . . ?
N1 Pt1 N3 172.64(11) . . ?
N1 Pt1 N4 79.82(11) . . ?
N1 Pt1 C38 89.42(12) . . ?
N1 Pt1 C45 89.85(12) . . ?
N2 Pt1 N3 94.71(11) . . ?
N2 Pt1 C38 92.38(12) . . ?
N2 Pt1 C45 89.21(12) . . ?
N3 Pt1 C38 90.21(12) . . ?
N3 Pt1 C45 90.32(12) . . ?
N4 Pt1 N2 172.38(11) . . ?
N4 Pt1 N3 92.82(11) . . ?
N4 Pt1 C38 88.76(12) . . ?
N4 Pt1 C45 89.58(12) . . ?
C45 Pt1 C38 178.28(12) . . ?
C1 N1 Pt1 117.5(2) . . ?
C1 N1 C4 112.4(3) . . ?
C4 N1 Pt1 130.1(2) . . ?
C6 N2 Pt1 124.8(2) . . ?
C6 N2 C9 110.3(3) . . ?
C9 N2 Pt1 124.6(2) . . ?
C11 N3 Pt1 125.4(2) . . ?
C14 N3 Pt1 124.2(2) . . ?
C14 N3 C11 110.2(3) . . ?
C16 N4 Pt1 130.0(2) . . ?
C16 N4 C19 112.5(3) . . ?
C19 N4 Pt1 117.2(2) . . ?
N1 C1 C2 106.5(3) . . ?
N1 C1 C19 112.6(3) . . ?
C2 C1 C19 140.9(3) . . ?
C1 C2 H2A 126.3 . . ?
C3 C2 C1 107.4(3) . . ?
C3 C2 H2A 126.3 . . ?
C2 C3 H3A 125.7 . . ?
C2 C3 C4 108.6(3) . . ?
C4 C3 H3A 125.7 . . ?
N1 C4 C3 105.1(3) . . ?
N1 C4 C5 121.4(3) . . ?
C5 C4 C3 133.5(3) . . ?
C4 C5 C6 125.4(3) . . ?
C4 C5 C20 117.2(3) . . ?
C6 C5 C20 117.5(3) . . ?
N2 C6 C5 125.6(3) . . ?
N2 C6 C7 106.8(3) . . ?
C7 C6 C5 127.5(3) . . ?
C6 C7 H7A 126.1 . . ?
C8 C7 C6 107.8(3) . . ?
C8 C7 H7A 126.1 . . ?
C7 C8 H8A 125.9 . . ?
C7 C8 C9 108.1(3) . . ?
C9 C8 H8A 125.9 . . ?
N2 C9 C8 107.0(3) . . ?
N2 C9 C10 124.8(3) . . ?
C10 C9 C8 128.2(3) . . ?
C9 C10 C11 126.8(3) . . ?
C9 C10 C26 115.7(3) . . ?
C11 C10 C26 117.3(3) . . ?
N3 C11 C10 123.5(3) . . ?
N3 C11 C12 107.3(3) . . ?
C10 C11 C12 129.0(3) . . ?
C11 C12 H12A 126.2 . . ?
C13 C12 C11 107.5(3) . . ?
C13 C12 H12A 126.2 . . ?
C12 C13 H13A 125.8 . . ?
C12 C13 C14 108.3(3) . . ?
C14 C13 H13A 125.8 . . ?
N3 C14 C13 106.7(3) . . ?
N3 C14 C15 125.9(3) . . ?
C13 C14 C15 127.4(3) . . ?
C14 C15 C32 117.3(3) . . ?
C16 C15 C14 125.5(3) . . ?
C16 C15 C32 117.1(3) . . ?
N4 C16 C15 121.3(3) . . ?
N4 C16 C17 105.3(3) . . ?
C15 C16 C17 133.3(3) . . ?
C16 C17 H17A 125.9 . . ?
C18 C17 C16 108.2(3) . . ?
C18 C17 H17A 125.9 . . ?
C17 C18 H18A 126.2 . . ?
C17 C18 C19 107.5(3) . . ?
C19 C18 H18A 126.2 . . ?
N4 C19 C1 112.8(3) . . ?
N4 C19 C18 106.4(3) . . ?
C18 C19 C1 140.8(3) . . ?
C21 C20 C5 120.2(3) . . ?
C25 C20 C5 120.8(3) . . ?
C25 C20 C21 119.0(3) . . ?
C20 C21 H21A 119.9 . . ?
C22 C21 C20 120.3(4) . . ?
C22 C21 H21A 119.9 . . ?
C21 C22 H22A 119.8 . . ?
C23 C22 C21 120.3(4) . . ?
C23 C22 H22A 119.8 . . ?
C22 C23 H23A 120.0 . . ?
C22 C23 C24 120.0(4) . . ?
C24 C23 H23A 120.0 . . ?
C23 C24 H24A 119.9 . . ?
C23 C24 C25 120.1(4) . . ?
C25 C24 H24A 119.9 . . ?
C20 C25 H25A 119.9 . . ?
C24 C25 C20 120.2(3) . . ?
C24 C25 H25A 119.9 . . ?
C27 C26 C10 122.2(3) . . ?
C27 C26 C31 119.2(3) . . ?
C31 C26 C10 118.6(3) . . ?
C26 C27 H27A 119.9 . . ?
C26 C27 C28 120.2(3) . . ?
C28 C27 H27A 119.9 . . ?
C27 C28 H28A 119.7 . . ?
C29B C28 C27 120.6(3) . . ?
C29B C28 H28A 119.7 . . ?
C28 C29B H29A 120.2 . . ?
C28 C29B C30 119.5(3) . . ?
C30 C29B H29A 120.2 . . ?
C29B C30 H30A 119.9 . . ?
C29B C30 C31 120.3(3) . . ?
C31 C30 H30A 119.9 . . ?
C26 C31 H31A 119.9 . . ?
C30 C31 C26 120.3(3) . . ?
C30 C31 H31A 119.9 . . ?
C33 C32 C15 121.3(3) . . ?
C33 C32 C37 119.4(3) . . ?
C37 C32 C15 119.2(3) . . ?
C32 C33 H33A 120.0 . . ?
C32 C33 C34 119.9(4) . . ?
C34 C33 H33A 120.0 . . ?
C33 C34 H34A 119.8 . . ?
C35 C34 C33 120.5(3) . . ?
C35 C34 H34A 119.8 . . ?
C34 C35 H35A 119.8 . . ?
C34 C35 C36 120.4(4) . . ?
C36 C35 H35A 119.8 . . ?
C35 C36 H36A 120.0 . . ?
C35 C36 C37 120.0(4) . . ?
C37 C36 H36A 120.0 . . ?
C32 C37 H37A 120.1 . . ?
C36 C37 C32 119.8(4) . . ?
C36 C37 H37A 120.1 . . ?
C39 C38 Pt1 120.9(2) . . ?
C43 C38 Pt1 122.3(3) . . ?
C43 C38 C39 116.6(3) . . ?
C38 C39 H39A 118.9 . . ?
C38 C39 C40 122.1(3) . . ?
C40 C39 H39A 118.9 . . ?
C39 C40 C44 119.3(3) . . ?
C41 C40 C39 120.1(3) . . ?
C41 C40 C44 120.5(3) . . ?
C40 C41 H41A 120.7 . . ?
C42 C41 C40 118.6(3) . . ?
C42 C41 H41A 120.7 . . ?
C41 C42 H42A 119.7 . . ?
C41 C42 C43 120.5(3) . . ?
C43 C42 H42A 119.7 . . ?
C38 C43 C42 121.9(3) . . ?
C38 C43 H43A 119.1 . . ?
C42 C43 H43A 119.1 . . ?
N5 C44 C40 177.8(4) . . ?
C46 C45 Pt1 121.7(2) . . ?
C46 C45 C50 116.7(3) . . ?
C50 C45 Pt1 121.6(3) . . ?
C45 C46 H46A 119.1 . . ?
C47 C46 C45 121.8(3) . . ?
C47 C46 H46A 119.1 . . ?
C46 C47 H47A 119.4 . . ?
C46 C47 C48 121.1(3) . . ?
C48 C47 H47A 119.4 . . ?
C47 C48 C51 121.7(4) . . ?
C49 C48 C47 117.1(3) . . ?
C49 C48 C51 121.3(3) . . ?
C48 C49 H49A 119.0 . . ?
C50 C49 C48 122.0(3) . . ?
C50 C49 H49A 119.0 . . ?
C45 C50 H50A 119.4 . . ?
C49 C50 C45 121.3(3) . . ?
C49 C50 H50A 119.4 . . ?
C48 C51 H51D 109.5 . . ?
C48 C51 H51A 109.5 . . ?
C48 C51 H51B 109.5 . . ?
H51D C51 H51A 109.5 . . ?
H51D C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?

_database_code_depnum_ccdc_archive 'CCDC 995762'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Pt{T(p-CH3-Ph)C}(p-C6H4CN)(p-C6H4CH3)

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56.23 H45.24 Cl0.31 N4.96 Pt'
_chemical_formula_weight         996.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0020 'Calculated using XDISP in WinGX (Farrugia, 1999)'
H H 0.0000 0.0000 'Calculated using XDISP in WinGX (Farrugia, 1999)'
N N 0.0076 0.0040 'Calculated using XDISP in WinGX (Farrugia, 1999)'
Cl Cl 0.1697 0.1896 'Calculated using XDISP in WinGX (Farrugia, 1999)'
Pt Pt -2.5675 9.6561 'Calculated using XDISP in WinGX (Farrugia, 1999)'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4746(6)
_cell_length_b                   11.6239(6)
_cell_length_c                   18.2464(11)
_cell_angle_alpha                87.752(3)
_cell_angle_beta                 83.482(3)
_cell_angle_gamma                77.657(3)
_cell_volume                     2156.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9218
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      36.63

_exptl_crystal_description       plate
_exptl_crystal_colour            red-brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_F_000             1001
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    4.111
_shelx_estimated_absorpt_T_min   0.559
_shelx_estimated_absorpt_T_max   0.960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_T_max  0.960
_exptl_absorpt_process_details   'SADABS-2012/1 - Bruker AXS, Madison WI'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.7749
_diffrn_radiation_type           synchrotron
_diffrn_source                   'Advanced Light Source station 11.3.1'
_diffrn_measurement_device_type  'Bruker APEX II CCD diffractometer'
_diffrn_measurement_method       'ω scans with 0.3 degree steps'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            77953
_diffrn_reflns_av_unetI/netI     0.0328
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.292
_diffrn_reflns_theta_max         36.704
_diffrn_reflns_theta_full        27.706
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             16418
_reflns_number_gt                14455
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
'Bruker APEX-II v2013.6-2 Bruker-AXS, Madison WI'
_computing_cell_refinement       'SAINT V8.32B Bruker-AXS, Madison WI'
_computing_data_reduction        'SAINT V8.32B Bruker-AXS, Madison WI'
_computing_structure_solution    'SHELXT 2013/5 Bruker-AXS, Madison WI'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    
;
Bruker SHELXTL Bruker-AXS, Madison WI
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.
and local programs
;
_computing_publication_material  'Bruker SHELXTL Bruker-AXS, Madison WI'

_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. All non-hydrogen atoms were 
 refined anisotropically.
 Hydrogen atoms were placed geometrically on the carbon atoms and refined
 with a riding model. The axial ligands are disordered partially between
 a toluene and a benzonitrile. The terminal nitrogen atom occupancies
 were allowed to refine freely to determine the toluene/nitrile fractions.
 The hydrogen atoms on the disordered toluene methyl groups have their
 occupancies fixed so they sum to unity with the occupancy of the nitrogen
 atom on the respective disordered nitrile group.
 Standard modeling of occupancy realated disorder in the DCM and Hexanes
 solvent was also applied.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0279P)²+2.2075P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16418
_refine_ls_number_parameters     592
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0313
_refine_ls_wR_factor_ref         0.0727
_refine_ls_wR_factor_gt          0.0706
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.084
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.65050(2) 0.52500(2) 0.28514(2) 0.02356(3) Uani 1 1 d . . . . .
N1 N 0.71900(19) 0.39597(17) 0.35080(12) 0.0262(4) Uani 1 1 d . . . . .
N2 N 0.82163(18) 0.51519(17) 0.22580(12) 0.0245(4) Uani 1 1 d . . . . .
N3 N 0.55927(18) 0.65588(17) 0.22593(12) 0.0245(4) Uani 1 1 d . . . . .
N4 N 0.49228(19) 0.51891(17) 0.35111(12) 0.0256(4) Uani 1 1 d . . . . .
C1 C 0.6339(2) 0.3647(2) 0.40546(15) 0.0280(4) Uani 1 1 d . . . . .
C2 C 0.7072(3) 0.2692(2) 0.44506(16) 0.0310(5) Uani 1 1 d . . . . .
H2A H 0.6739 0.2278 0.4862 0.037 Uiso 1 1 calc R U . . .
C3 C 0.8357(3) 0.2481(2) 0.41240(15) 0.0311(5) Uani 1 1 d . . . . .
H3A H 0.9066 0.1899 0.4276 0.037 Uiso 1 1 calc R U . . .
C4 C 0.8432(2) 0.3297(2) 0.35143(15) 0.0270(4) Uani 1 1 d . . . . .
C5 C 0.9462(2) 0.3513(2) 0.29950(15) 0.0266(4) Uani 1 1 d . . . . .
C6 C 0.9346(2) 0.4382(2) 0.24139(15) 0.0268(4) Uani 1 1 d . . . . .
C7 C 1.0374(2) 0.4622(2) 0.18749(15) 0.0288(5) Uani 1 1 d . . . . .
H7A H 1.1272 0.4227 0.1842 0.035 Uiso 1 1 calc R U . . .
C8 C 0.9845(2) 0.5508(2) 0.14206(16) 0.0297(5) Uani 1 1 d . . . . .
H8A H 1.0305 0.5840 0.1016 0.036 Uiso 1 1 calc R U . . .
C9 C 0.8468(2) 0.5852(2) 0.16626(14) 0.0263(4) Uani 1 1 d . . . . .
C10 C 0.7504(2) 0.6766(2) 0.13807(14) 0.0246(4) Uani 1 1 d . . . . .
C11 C 0.6160(2) 0.7086(2) 0.16584(14) 0.0256(4) Uani 1 1 d . . . . .
C12 C 0.5136(2) 0.7978(2) 0.13890(15) 0.0276(4) Uani 1 1 d . . . . .
H12A H 0.5230 0.8485 0.0974 0.033 Uiso 1 1 calc R U . . .
C13 C 0.4004(2) 0.7962(2) 0.18383(15) 0.0278(4) Uani 1 1 d . . . . .
H13A H 0.3172 0.8463 0.1791 0.033 Uiso 1 1 calc R U . . .
C14 C 0.4280(2) 0.70618(19) 0.23948(14) 0.0250(4) Uani 1 1 d . . . . .
C15 C 0.3376(2) 0.6750(2) 0.29839(14) 0.0260(4) Uani 1 1 d . . . . .
C16 C 0.3687(2) 0.5869(2) 0.35221(15) 0.0271(4) Uani 1 1 d . . . . .
C17 C 0.2932(2) 0.5430(2) 0.41429(15) 0.0299(5) Uani 1 1 d . . . . .
H17A H 0.2026 0.5719 0.4297 0.036 Uiso 1 1 calc R U . . .
C18 C 0.3752(2) 0.4522(2) 0.44724(15) 0.0312(5) Uani 1 1 d . . . . .
H18A H 0.3516 0.4076 0.4894 0.037 Uiso 1 1 calc R U . . .
C19 C 0.5027(2) 0.4372(2) 0.40648(15) 0.0281(4) Uani 1 1 d . . . . .
C20 C 1.0797(2) 0.2765(2) 0.30380(15) 0.0279(5) Uani 1 1 d . . . . .
C21 C 1.1830(3) 0.3253(3) 0.3205(2) 0.0414(7) Uani 1 1 d . . . . .
H21A H 1.1677 0.4067 0.3313 0.050 Uiso 1 1 calc R U . . .
C22 C 1.3081(3) 0.2556(3) 0.3215(2) 0.0448(7) Uani 1 1 d . . . . .
H22A H 1.3773 0.2899 0.3339 0.054 Uiso 1 1 calc R U . . .
C23 C 1.3340(3) 0.1374(3) 0.30494(18) 0.0380(6) Uani 1 1 d . . . . .
C24 C 1.2317(3) 0.0889(2) 0.28885(18) 0.0378(6) Uani 1 1 d . . . . .
H24A H 1.2476 0.0076 0.2777 0.045 Uiso 1 1 calc R U . . .
C25 C 1.1053(3) 0.1574(2) 0.28863(17) 0.0337(5) Uani 1 1 d . . . . .
H25A H 1.0358 0.1221 0.2780 0.040 Uiso 1 1 calc R U . . .
C26 C 0.7962(2) 0.7472(2) 0.07441(14) 0.0270(4) Uani 1 1 d . . . . .
C27 C 0.8579(3) 0.6950(2) 0.00827(16) 0.0331(5) Uani 1 1 d . . . . .
H27A H 0.8710 0.6121 0.0031 0.040 Uiso 1 1 calc R U . . .
C28 C 0.9002(3) 0.7633(3) -0.05020(16) 0.0361(5) Uani 1 1 d . . . . .
H28A H 0.9415 0.7263 -0.0948 0.043 Uiso 1 1 calc R U . . .
C29 C 0.8831(2) 0.8845(3) -0.04444(16) 0.0333(5) Uani 1 1 d . . . . .
C30 C 0.8231(3) 0.9362(2) 0.02137(16) 0.0332(5) Uani 1 1 d . . . . .
H30A H 0.8114 1.0189 0.0265 0.040 Uiso 1 1 calc R U . . .
C31 C 0.7796(2) 0.8694(2) 0.07986(15) 0.0298(5) Uani 1 1 d . . . . .
H31A H 0.7381 0.9071 0.1242 0.036 Uiso 1 1 calc R U . . .
C32 C 0.2007(2) 0.7455(2) 0.30165(14) 0.0268(4) Uani 1 1 d . . . . .
C33 C 0.1221(3) 0.7368(2) 0.24671(17) 0.0345(5) Uani 1 1 d . . . . .
H33A H 0.1535 0.6806 0.2089 0.041 Uiso 1 1 calc R U . . .
C34 C -0.0014(2) 0.8088(3) 0.24628(16) 0.0343(5) Uani 1 1 d . . . . .
H34A H -0.0537 0.8010 0.2082 0.041 Uiso 1 1 calc R U . . .
C35 C -0.0501(2) 0.8919(2) 0.30026(16) 0.0310(5) Uani 1 1 d . . . . .
C36 C 0.0260(2) 0.8980(2) 0.35663(17) 0.0347(5) Uani 1 1 d . . . . .
H36A H -0.0068 0.9528 0.3950 0.042 Uiso 1 1 calc R U . . .
C37 C 0.1501(2) 0.8250(2) 0.35807(16) 0.0325(5) Uani 1 1 d . . . . .
H37A H 0.2003 0.8296 0.3977 0.039 Uiso 1 1 calc R U . . .
C38 C 1.4713(3) 0.0625(3) 0.3059(2) 0.0522(9) Uani 1 1 d . . . . .
H38A H 1.4714 -0.0183 0.2925 0.078 Uiso 1 1 calc R U . . .
H38B H 1.4988 0.0626 0.3555 0.078 Uiso 1 1 calc R U . . .
H38C H 1.5323 0.0949 0.2704 0.078 Uiso 1 1 calc R U . . .
C39 C 0.9273(3) 0.9581(3) -0.10855(18) 0.0445(7) Uani 1 1 d . . . . .
H39A H 0.9074 1.0411 -0.0946 0.067 Uiso 1 1 calc R U . . .
H39B H 0.8809 0.9490 -0.1510 0.067 Uiso 1 1 calc R U . . .
H39C H 1.0222 0.9320 -0.1217 0.067 Uiso 1 1 calc R U . . .
C40 C -0.1828(2) 0.9718(3) 0.29720(19) 0.0402(6) Uani 1 1 d . . . . .
H40A H -0.2019 1.0248 0.3393 0.060 Uiso 1 1 calc R U . . .
H40B H -0.2501 0.9244 0.2990 0.060 Uiso 1 1 calc R U . . .
H40C H -0.1830 1.0183 0.2512 0.060 Uiso 1 1 calc R U . . .
C1H C 0.7570(6) 0.2956(5) -0.0296(3) 0.0418(10) Uani 0.692(6) 1 d . . P A 1
H1HA H 0.8483 0.2835 -0.0182 0.063 Uiso 0.692(6) 1 calc R U P A 1
H1HB H 0.7555 0.2924 -0.0831 0.063 Uiso 0.692(6) 1 calc R U P A 1
H1HC H 0.7162 0.2336 -0.0053 0.063 Uiso 0.692(6) 1 calc R U P A 1
C2H C 0.6826(5) 0.4130(4) -0.0023(3) 0.0414(11) Uani 0.692(6) 1 d . . P A 1
H2HA H 0.7259 0.4746 -0.0265 0.050 Uiso 0.692(6) 1 calc R U P A 1
H2HB H 0.6877 0.4161 0.0514 0.050 Uiso 0.692(6) 1 calc R U P A 1
C3H C 0.5389(5) 0.4417(4) -0.0162(2) 0.0385(10) Uani 0.692(6) 1 d . . P A 1
H3HA H 0.4969 0.3774 0.0051 0.046 Uiso 0.692(6) 1 calc R U P A 1
H3HB H 0.5338 0.4441 -0.0701 0.046 Uiso 0.692(6) 1 calc R U P A 1
Cl1 Cl 0.6796(6) 0.4876(6) 0.0130(4) 0.0584(19) Uiso 0.154(3) 1 d D . P A 2
Cl2 Cl 0.7983(6) 0.2545(6) -0.0383(4) 0.0442(15) Uiso 0.154(3) 1 d D . P A 2
C1S C 0.6578(12) 0.3674(10) -0.0344(10) 0.036(4) Uiso 0.154(3) 1 d D . P A 2
H1SA H 0.6382 0.3924 -0.0851 0.044 Uiso 0.154(3) 1 calc R U P A 2
H1SB H 0.5820 0.3378 -0.0094 0.044 Uiso 0.154(3) 1 calc R U P A 2
N5 N 0.7981(6) 0.9725(5) 0.5291(3) 0.063(2) Uani 0.659(13) 1 d . . P B 3
C41 C 0.6941(2) 0.6473(2) 0.35741(14) 0.0269(4) Uani 1 1 d . . . . .
C42 C 0.8172(2) 0.6318(2) 0.38325(15) 0.0310(5) Uani 1 1 d . . . . .
H42A H 0.8843 0.5664 0.3671 0.037 Uiso 1 1 calc R U . . .
C43 C 0.8433(3) 0.7106(3) 0.43228(16) 0.0363(6) Uani 1 1 d . . . . .
H43A H 0.9278 0.6984 0.4491 0.044 Uiso 1 1 calc R U . . .
C44 C 0.7461(3) 0.8075(2) 0.45684(16) 0.0369(6) Uani 1 1 d . . . . .
C45 C 0.6220(3) 0.8227(2) 0.43312(16) 0.0362(6) Uani 1 1 d . . . . .
H45A H 0.5544 0.8871 0.4504 0.043 Uiso 1 1 calc R U . . .
C46 C 0.5967(3) 0.7435(2) 0.38403(15) 0.0324(5) Uani 1 1 d . . . . .
H46A H 0.5115 0.7550 0.3682 0.039 Uiso 1 1 calc R U . . .
C47 C 0.7752(4) 0.8968(3) 0.5031(2) 0.0507(8) Uani 1 1 d . . . . .
H47A H 0.6955 0.9576 0.5148 0.076 Uiso 0.341(13) 1 calc R U P B -3
H47B H 0.8438 0.9329 0.4765 0.076 Uiso 0.341(13) 1 calc R U P B -3
H47C H 0.8058 0.8598 0.5489 0.076 Uiso 0.341(13) 1 calc R U P B -3
N6 N 0.4778(9) 0.0765(8) 0.0529(5) 0.044(3) Uani 0.309(11) 1 d . . P C 4
C48 C 0.6023(2) 0.4005(2) 0.21702(14) 0.0266(4) Uani 1 1 d . . . . .
C49 C 0.6911(2) 0.2962(2) 0.19624(16) 0.0318(5) Uani 1 1 d . . . . .
H49A H 0.7777 0.2824 0.2104 0.038 Uiso 1 1 calc R U . . .
C50 C 0.6552(3) 0.2120(2) 0.15528(17) 0.0350(5) Uani 1 1 d . . . . .
H50A H 0.7176 0.1419 0.1419 0.042 Uiso 1 1 calc R U . . .
C51 C 0.5299(3) 0.2287(2) 0.13358(16) 0.0334(5) Uani 1 1 d . . . . .
C52 C 0.4408(2) 0.3314(2) 0.15419(17) 0.0354(6) Uani 1 1 d . . . . .
H52A H 0.3541 0.3445 0.1402 0.042 Uiso 1 1 calc R U . . .
C53 C 0.4764(2) 0.4159(2) 0.19508(17) 0.0335(5) Uani 1 1 d . . . . .
H53A H 0.4135 0.4857 0.2084 0.040 Uiso 1 1 calc R U . . .
C54 C 0.4894(3) 0.1389(3) 0.0902(2) 0.0432(7) Uani 1 1 d . . . . .
H54A H 0.3977 0.1669 0.0803 0.065 Uiso 0.691(11) 1 calc R U P C -4
H54B H 0.4979 0.0647 0.1184 0.065 Uiso 0.691(11) 1 calc R U P C -4
H54C H 0.5459 0.1263 0.0433 0.065 Uiso 0.691(11) 1 calc R U P C -4


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N4 1.9470(19) . ?
Pt1 N1 1.948(2) . ?
Pt1 N3 1.9693(19) . ?
Pt1 N2 1.9698(19) . ?
Pt1 C48 2.119(2) . ?
Pt1 C41 2.129(2) . ?
N1 C1 1.352(3) . ?
N1 C4 1.364(3) . ?
N2 C9 1.367(3) . ?
N2 C6 1.374(3) . ?
N3 C14 1.373(3) . ?
N3 C11 1.373(3) . ?
N4 C19 1.357(3) . ?
N4 C16 1.364(3) . ?
C1 C2 1.429(3) . ?
C1 C19 1.450(3) . ?
C2 C3 1.384(4) . ?
C2 H2A 0.9500 . ?
C3 C4 1.440(4) . ?
C3 H3A 0.9500 . ?
C4 C5 1.411(3) . ?
C5 C6 1.433(3) . ?
C5 C20 1.489(3) . ?
C6 C7 1.439(3) . ?
C7 C8 1.360(4) . ?
C7 H7A 0.9500 . ?
C8 C9 1.435(3) . ?
C8 H8A 0.9500 . ?
C9 C10 1.424(3) . ?
C10 C11 1.416(3) . ?
C10 C26 1.489(3) . ?
C11 C12 1.439(3) . ?
C12 C13 1.367(3) . ?
C12 H12A 0.9500 . ?
C13 C14 1.436(3) . ?
C13 H13A 0.9500 . ?
C14 C15 1.438(3) . ?
C15 C16 1.403(3) . ?
C15 C32 1.488(3) . ?
C16 C17 1.446(3) . ?
C17 C18 1.376(4) . ?
C17 H17A 0.9500 . ?
C18 C19 1.432(3) . ?
C18 H18A 0.9500 . ?
C20 C25 1.385(3) . ?
C20 C21 1.392(4) . ?
C21 C22 1.388(4) . ?
C21 H21A 0.9500 . ?
C22 C23 1.381(4) . ?
C22 H22A 0.9500 . ?
C23 C24 1.376(4) . ?
C23 C38 1.515(4) . ?
C24 C25 1.392(4) . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9500 . ?
C26 C27 1.398(4) . ?
C26 C31 1.400(3) . ?
C27 C28 1.394(4) . ?
C27 H27A 0.9500 . ?
C28 C29 1.389(4) . ?
C28 H28A 0.9500 . ?
C29 C30 1.387(4) . ?
C29 C39 1.510(4) . ?
C30 C31 1.387(4) . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9500 . ?
C32 C33 1.387(4) . ?
C32 C37 1.391(4) . ?
C33 C34 1.383(4) . ?
C33 H33A 0.9500 . ?
C34 C35 1.383(4) . ?
C34 H34A 0.9500 . ?
C35 C36 1.384(4) . ?
C35 C40 1.504(3) . ?
C36 C37 1.394(3) . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C1H C2H 1.493(8) . ?
C1H H1HA 0.9800 . ?
C1H H1HB 0.9800 . ?
C1H H1HC 0.9800 . ?
C2H C3H 1.519(6) . ?
C2H H2HA 0.9900 . ?
C2H H2HB 0.9900 . ?
C3H C3H 1.527(9) 2_665 ?
C3H H3HA 0.9900 . ?
C3H H3HB 0.9900 . ?
Cl1 C1S 1.740(9) . ?
Cl2 C1S 1.746(9) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
N5 C47 1.098(5) . ?
C41 C42 1.396(3) . ?
C41 C46 1.403(3) . ?
C42 C43 1.393(4) . ?
C42 H42A 0.9500 . ?
C43 C44 1.397(4) . ?
C43 H43A 0.9500 . ?
C44 C45 1.389(4) . ?
C44 C47 1.466(4) . ?
C45 C46 1.393(4) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
N6 C54 1.048(9) . ?
C48 C53 1.394(3) . ?
C48 C49 1.398(3) . ?
C49 C50 1.391(4) . ?
C49 H49A 0.9500 . ?
C50 C51 1.386(4) . ?
C50 H50A 0.9500 . ?
C51 C52 1.384(4) . ?
C51 C54 1.492(4) . ?
C52 C53 1.391(4) . ?
C52 H52A 0.9500 . ?
C53 H53A 0.9500 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N4 Pt1 N1 79.70(8) . . ?
N4 Pt1 N3 93.01(8) . . ?
N1 Pt1 N3 172.70(8) . . ?
N4 Pt1 N2 172.96(8) . . ?
N1 Pt1 N2 93.26(8) . . ?
N3 Pt1 N2 94.03(8) . . ?
N4 Pt1 C48 89.11(9) . . ?
N1 Pt1 C48 88.69(9) . . ?
N3 Pt1 C48 90.84(9) . . ?
N2 Pt1 C48 90.84(9) . . ?
N4 Pt1 C41 88.66(9) . . ?
N1 Pt1 C41 89.93(9) . . ?
N3 Pt1 C41 90.28(9) . . ?
N2 Pt1 C41 91.26(9) . . ?
C48 Pt1 C41 177.55(9) . . ?
C1 N1 C4 112.5(2) . . ?
C1 N1 Pt1 117.47(16) . . ?
C4 N1 Pt1 130.02(17) . . ?
C9 N2 C6 110.6(2) . . ?
C9 N2 Pt1 125.88(15) . . ?
C6 N2 Pt1 123.50(17) . . ?
C14 N3 C11 110.73(19) . . ?
C14 N3 Pt1 123.75(16) . . ?
C11 N3 Pt1 125.52(15) . . ?
C19 N4 C16 112.5(2) . . ?
C19 N4 Pt1 117.39(16) . . ?
C16 N4 Pt1 130.10(17) . . ?
N1 C1 C2 106.6(2) . . ?
N1 C1 C19 112.8(2) . . ?
C2 C1 C19 140.6(2) . . ?
C3 C2 C1 107.5(2) . . ?
C3 C2 H2A 126.3 . . ?
C1 C2 H2A 126.3 . . ?
C2 C3 C4 108.1(2) . . ?
C2 C3 H3A 126.0 . . ?
C4 C3 H3A 126.0 . . ?
N1 C4 C5 120.7(2) . . ?
N1 C4 C3 105.4(2) . . ?
C5 C4 C3 133.9(2) . . ?
C4 C5 C6 126.0(2) . . ?
C4 C5 C20 117.9(2) . . ?
C6 C5 C20 116.1(2) . . ?
N2 C6 C5 126.4(2) . . ?
N2 C6 C7 106.2(2) . . ?
C5 C6 C7 127.4(2) . . ?
C8 C7 C6 108.5(2) . . ?
C8 C7 H7A 125.7 . . ?
C6 C7 H7A 125.7 . . ?
C7 C8 C9 107.7(2) . . ?
C7 C8 H8A 126.1 . . ?
C9 C8 H8A 126.1 . . ?
N2 C9 C10 124.0(2) . . ?
N2 C9 C8 107.0(2) . . ?
C10 C9 C8 128.9(2) . . ?
C11 C10 C9 126.3(2) . . ?
C11 C10 C26 116.9(2) . . ?
C9 C10 C26 116.8(2) . . ?
N3 C11 C10 124.3(2) . . ?
N3 C11 C12 106.8(2) . . ?
C10 C11 C12 128.9(2) . . ?
C13 C12 C11 107.5(2) . . ?
C13 C12 H12A 126.2 . . ?
C11 C12 H12A 126.2 . . ?
C12 C13 C14 108.7(2) . . ?
C12 C13 H13A 125.7 . . ?
C14 C13 H13A 125.7 . . ?
N3 C14 C13 106.3(2) . . ?
N3 C14 C15 126.4(2) . . ?
C13 C14 C15 127.4(2) . . ?
C16 C15 C14 125.7(2) . . ?
C16 C15 C32 118.8(2) . . ?
C14 C15 C32 115.5(2) . . ?
N4 C16 C15 121.0(2) . . ?
N4 C16 C17 105.2(2) . . ?
C15 C16 C17 133.8(2) . . ?
C18 C17 C16 108.2(2) . . ?
C18 C17 H17A 125.9 . . ?
C16 C17 H17A 125.9 . . ?
C17 C18 C19 107.6(2) . . ?
C17 C18 H18A 126.2 . . ?
C19 C18 H18A 126.2 . . ?
N4 C19 C18 106.5(2) . . ?
N4 C19 C1 112.6(2) . . ?
C18 C19 C1 140.9(2) . . ?
C25 C20 C21 118.3(2) . . ?
C25 C20 C5 120.9(2) . . ?
C21 C20 C5 120.8(2) . . ?
C22 C21 C20 120.3(3) . . ?
C22 C21 H21A 119.9 . . ?
C20 C21 H21A 119.9 . . ?
C23 C22 C21 121.3(3) . . ?
C23 C22 H22A 119.3 . . ?
C21 C22 H22A 119.3 . . ?
C24 C23 C22 118.4(2) . . ?
C24 C23 C38 120.9(3) . . ?
C22 C23 C38 120.7(3) . . ?
C23 C24 C25 120.9(3) . . ?
C23 C24 H24A 119.5 . . ?
C25 C24 H24A 119.5 . . ?
C20 C25 C24 120.8(2) . . ?
C20 C25 H25A 119.6 . . ?
C24 C25 H25A 119.6 . . ?
C27 C26 C31 117.9(2) . . ?
C27 C26 C10 122.0(2) . . ?
C31 C26 C10 120.2(2) . . ?
C28 C27 C26 120.6(2) . . ?
C28 C27 H27A 119.7 . . ?
C26 C27 H27A 119.7 . . ?
C29 C28 C27 121.2(3) . . ?
C29 C28 H28A 119.4 . . ?
C27 C28 H28A 119.4 . . ?
C30 C29 C28 118.2(2) . . ?
C30 C29 C39 121.0(3) . . ?
C28 C29 C39 120.8(3) . . ?
C29 C30 C31 121.2(3) . . ?
C29 C30 H30A 119.4 . . ?
C31 C30 H30A 119.4 . . ?
C30 C31 C26 120.9(2) . . ?
C30 C31 H31A 119.6 . . ?
C26 C31 H31A 119.6 . . ?
C33 C32 C37 118.4(2) . . ?
C33 C32 C15 120.6(2) . . ?
C37 C32 C15 121.0(2) . . ?
C34 C33 C32 120.9(3) . . ?
C34 C33 H33A 119.6 . . ?
C32 C33 H33A 119.6 . . ?
C33 C34 C35 121.2(3) . . ?
C33 C34 H34A 119.4 . . ?
C35 C34 H34A 119.4 . . ?
C34 C35 C36 118.1(2) . . ?
C34 C35 C40 120.2(3) . . ?
C36 C35 C40 121.7(3) . . ?
C35 C36 C37 121.2(3) . . ?
C35 C36 H36A 119.4 . . ?
C37 C36 H36A 119.4 . . ?
C32 C37 C36 120.2(3) . . ?
C32 C37 H37A 119.9 . . ?
C36 C37 H37A 119.9 . . ?
C23 C38 H38A 109.5 . . ?
C23 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C23 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C29 C39 H39A 109.5 . . ?
C29 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C29 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C2H C1H H1HA 109.5 . . ?
C2H C1H H1HB 109.5 . . ?
H1HA C1H H1HB 109.5 . . ?
C2H C1H H1HC 109.5 . . ?
H1HA C1H H1HC 109.5 . . ?
H1HB C1H H1HC 109.5 . . ?
C1H C2H C3H 114.5(4) . . ?
C1H C2H H2HA 108.6 . . ?
C3H C2H H2HA 108.6 . . ?
C1H C2H H2HB 108.6 . . ?
C3H C2H H2HB 108.6 . . ?
H2HA C2H H2HB 107.6 . . ?
C2H C3H C3H 114.2(4) . 2_665 ?
C2H C3H H3HA 108.7 . . ?
C3H C3H H3HA 108.7 2_665 . ?
C2H C3H H3HB 108.7 . . ?
C3H C3H H3HB 108.7 2_665 . ?
H3HA C3H H3HB 107.6 . . ?
Cl1 C1S Cl2 111.0(7) . . ?
Cl1 C1S H1SA 109.4 . . ?
Cl2 C1S H1SA 109.4 . . ?
Cl1 C1S H1SB 109.4 . . ?
Cl2 C1S H1SB 109.4 . . ?
H1SA C1S H1SB 108.0 . . ?
C42 C41 C46 117.6(2) . . ?
C42 C41 Pt1 121.73(18) . . ?
C46 C41 Pt1 120.63(18) . . ?
C43 C42 C41 121.2(2) . . ?
C43 C42 H42A 119.4 . . ?
C41 C42 H42A 119.4 . . ?
C42 C43 C44 120.4(3) . . ?
C42 C43 H43A 119.8 . . ?
C44 C43 H43A 119.8 . . ?
C45 C44 C43 119.2(3) . . ?
C45 C44 C47 119.6(3) . . ?
C43 C44 C47 121.1(3) . . ?
C44 C45 C46 120.0(3) . . ?
C44 C45 H45A 120.0 . . ?
C46 C45 H45A 120.0 . . ?
C45 C46 C41 121.6(3) . . ?
C45 C46 H46A 119.2 . . ?
C41 C46 H46A 119.2 . . ?
N5 C47 C44 170.4(5) . . ?
N5 C47 H47A 69.1 . . ?
C44 C47 H47A 109.5 . . ?
N5 C47 H47B 63.3 . . ?
C44 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
N5 C47 H47C 79.6 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C53 C48 C49 117.0(2) . . ?
C53 C48 Pt1 120.87(17) . . ?
C49 C48 Pt1 122.02(18) . . ?
C50 C49 C48 121.3(2) . . ?
C50 C49 H49A 119.4 . . ?
C48 C49 H49A 119.4 . . ?
C51 C50 C49 121.1(2) . . ?
C51 C50 H50A 119.4 . . ?
C49 C50 H50A 119.4 . . ?
C52 C51 C50 118.1(2) . . ?
C52 C51 C54 120.1(2) . . ?
C50 C51 C54 121.8(2) . . ?
C51 C52 C53 120.9(2) . . ?
C51 C52 H52A 119.5 . . ?
C53 C52 H52A 119.5 . . ?
C52 C53 C48 121.6(2) . . ?
C52 C53 H53A 119.2 . . ?
C48 C53 H53A 119.2 . . ?
N6 C54 C51 168.7(6) . . ?
N6 C54 H54A 77.8 . . ?
C51 C54 H54A 109.5 . . ?
N6 C54 H54B 74.9 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
N6 C54 H54C 59.4 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?

_refine_diff_density_max         2.092
_refine_diff_density_min         -1.894
_refine_diff_density_rms         0.101

_shelxl_version_number           2013-3

_database_code_depnum_ccdc_archive 'CCDC 995763'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Pt{T(p-CH3-Ph)C}(m-C6H4CN)(p-C6H4CH3)

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H40 N5 Pt'
_chemical_formula_weight         954.00

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0020 0.0012 'Calculated using XDISP in WinGX (Farrugia, 1999)'
H H 0.0000 0.0000 'Calculated using XDISP in WinGX (Farrugia, 1999)'
N N 0.0042 0.0025 'Calculated using XDISP in WinGX (Farrugia, 1999)'
Pt Pt -0.8473 6.7540 'Calculated using XDISP in WinGX (Farrugia, 1999)'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.5493(9)
_cell_length_b                   12.9707(13)
_cell_length_c                   17.3628(17)
_cell_angle_alpha                106.1050(11)
_cell_angle_beta                 96.8590(12)
_cell_angle_gamma                93.6790(12)
_cell_volume                     2040.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9364
_cell_measurement_theta_min      8.5515
_cell_measurement_theta_max      35.467

_exptl_crystal_description       block
_exptl_crystal_colour            blue-green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_F_000             954
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    2.441
_shelx_estimated_absorpt_T_min   0.775
_shelx_estimated_absorpt_T_max   0.909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.782
_exptl_absorpt_correction_T_max  0.909

_exptl_absorpt_process_details   'SADABS-2012/1 - Bruker AXS, Madison WI'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.6199
_diffrn_radiation_type           synchrotron
_diffrn_source                   
;
Advanced Light Source, station 11.3.1
;
_diffrn_measurement_device_type  'Bruker APEX-II CCD diffractometer'
_diffrn_measurement_method       '/w scans with narrow frames'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            142008
_diffrn_reflns_av_unetI/netI     0.0169
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.049
_diffrn_reflns_theta_max         24.409
_diffrn_reflns_theta_full        21.835
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             10110
_reflns_number_gt                9931
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX-II Bruker-AXS, Madison WI'
_computing_cell_refinement       'SAINT V8.34A Bruker-AXS, Madison WI'
_computing_data_reduction        'SAINT V8.34A Bruker-AXS, Madison WI'
_computing_structure_solution    'SHELXT 2014/1 Bruker-AXS, Madison WI'
_computing_structure_refinement  'SHELXL-2013/4 (Sheldrick, 2013)'
_computing_molecular_graphics    
;
Bruker SHELXTL Bruker-AXS, Madison WI
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.
and local programs
;
_computing_publication_material  'Bruker SHELXTL Bruker-AXS, Madison WI'


_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. All non-hydrogen atoms were 
 refined anisotropically.
 Hydrogen atoms were placed geometrically on the carbon atoms and refined
 with a riding model.
 Data were trimmed due to poor beamstop masking
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0113P)²+3.5215P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10110
_refine_ls_number_parameters     545
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0231
_refine_ls_R_factor_gt           0.0227
_refine_ls_wR_factor_ref         0.0525
_refine_ls_wR_factor_gt          0.0523
_refine_ls_goodness_of_fit_ref   1.173
_refine_ls_restrained_S_all      1.173
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.73654(2) 0.03905(2) 0.73257(2) 0.01925(3) Uani 1 1 d . . . . .
N1 N 0.7271(2) -0.09402(16) 0.64452(12) 0.0231(4) Uani 1 1 d . . . . .
N2 N 0.9267(2) 0.01879(15) 0.78099(12) 0.0212(4) Uani 1 1 d . . . . .
N3 N 0.7222(2) 0.17637(15) 0.81507(12) 0.0212(4) Uani 1 1 d . . . . .
N4 N 0.5503(2) 0.04039(16) 0.67408(12) 0.0228(4) Uani 1 1 d . . . . .
N5 N 0.7108(3) 0.4535(2) 0.59604(16) 0.0397(5) Uani 1 1 d . . . . .
C1 C 0.6106(3) -0.1183(2) 0.58731(14) 0.0251(4) Uani 1 1 d . . . . .
C2 C 0.6293(3) -0.2177(2) 0.52984(15) 0.0291(5) Uani 1 1 d . . . . .
H2A H 0.5649 -0.2552 0.4829 0.035 Uiso 1 1 calc R U . . .
C3 C 0.7580(3) -0.2489(2) 0.55516(15) 0.0292(5) Uani 1 1 d . . . . .
H3A H 0.7980 -0.3121 0.5285 0.035 Uiso 1 1 calc R U . . .
C4 C 0.8216(3) -0.16909(19) 0.62920(14) 0.0240(4) Uani 1 1 d . . . . .
C5 C 0.9527(2) -0.15674(18) 0.67973(14) 0.0233(4) Uani 1 1 d . . . . .
C6 C 1.0001(2) -0.06774(18) 0.75116(14) 0.0220(4) Uani 1 1 d . . . . .
C7 C 1.1290(3) -0.0540(2) 0.80734(15) 0.0258(5) Uani 1 1 d . . . . .
H7A H 1.2017 -0.1012 0.8026 0.031 Uiso 1 1 calc R U . . .
C8 C 1.1283(3) 0.0387(2) 0.86851(15) 0.0257(5) Uani 1 1 d . . . . .
H8A H 1.2003 0.0674 0.9137 0.031 Uiso 1 1 calc R U . . .
C9 C 0.9988(2) 0.08508(19) 0.85230(14) 0.0223(4) Uani 1 1 d . . . . .
C10 C 0.9505(2) 0.18017(18) 0.89978(13) 0.0219(4) Uani 1 1 d . . . . .
C11 C 0.8214(2) 0.22331(18) 0.88170(14) 0.0221(4) Uani 1 1 d . . . . .
C12 C 0.7651(3) 0.31624(19) 0.92937(15) 0.0254(4) Uani 1 1 d . . . . .
H12A H 0.8107 0.3650 0.9789 0.030 Uiso 1 1 calc R U . . .
C13 C 0.6334(3) 0.32169(19) 0.89036(15) 0.0261(5) Uani 1 1 d . . . . .
H13A H 0.5714 0.3749 0.9084 0.031 Uiso 1 1 calc R U . . .
C14 C 0.6050(2) 0.23294(18) 0.81729(14) 0.0223(4) Uani 1 1 d . . . . .
C15 C 0.4798(2) 0.20575(19) 0.75750(15) 0.0232(4) Uani 1 1 d . . . . .
C16 C 0.4548(2) 0.1146(2) 0.68875(14) 0.0236(4) Uani 1 1 d . . . . .
C17 C 0.3425(3) 0.0781(2) 0.62078(15) 0.0276(5) Uani 1 1 d . . . . .
H17A H 0.2598 0.1131 0.6130 0.033 Uiso 1 1 calc R U . . .
C18 C 0.3754(3) -0.0161(2) 0.56918(15) 0.0280(5) Uani 1 1 d . . . . .
H18A H 0.3198 -0.0576 0.5199 0.034 Uiso 1 1 calc R U . . .
C19 C 0.5091(2) -0.0395(2) 0.60373(14) 0.0249(4) Uani 1 1 d . . . . .
C20 C 1.0502(3) -0.24211(19) 0.65703(14) 0.0245(4) Uani 1 1 d . . . . .
C21 C 1.0049(3) -0.3506(2) 0.64660(18) 0.0344(6) Uani 1 1 d . . . . .
H21A H 0.9107 -0.3703 0.6535 0.041 Uiso 1 1 calc R U . . .
C22 C 1.0968(3) -0.4299(2) 0.62613(19) 0.0381(6) Uani 1 1 d . . . . .
H22A H 1.0648 -0.5029 0.6202 0.046 Uiso 1 1 calc R U . . .
C23 C 1.2349(3) -0.4037(2) 0.61426(16) 0.0336(5) Uani 1 1 d . . . . .
C24 C 1.2763(3) -0.2968(2) 0.62030(16) 0.0312(5) Uani 1 1 d . . . . .
H24A H 1.3678 -0.2781 0.6089 0.037 Uiso 1 1 calc R U . . .
C25 C 1.1869(3) -0.2163(2) 0.64261(15) 0.0278(5) Uani 1 1 d . . . . .
H25A H 1.2191 -0.1435 0.6480 0.033 Uiso 1 1 calc R U . . .
C26 C 1.0406(2) 0.23580(19) 0.97912(14) 0.0229(4) Uani 1 1 d . . . . .
C27 C 1.0407(3) 0.1915(2) 1.04330(16) 0.0348(6) Uani 1 1 d . . . . .
H27A H 0.9821 0.1267 1.0365 0.042 Uiso 1 1 calc R U . . .
C28 C 1.1244(3) 0.2398(2) 1.11695(17) 0.0369(6) Uani 1 1 d . . . . .
H28A H 1.1212 0.2082 1.1600 0.044 Uiso 1 1 calc R U . . .
C29 C 1.2125(3) 0.3334(2) 1.12879(15) 0.0296(5) Uani 1 1 d . . . . .
C30 C 1.2124(4) 0.3776(3) 1.06476(19) 0.0446(7) Uani 1 1 d . . . . .
H30A H 1.2725 0.4417 1.0714 0.053 Uiso 1 1 calc R U . . .
C31 C 1.1264(4) 0.3306(3) 0.99077(18) 0.0413(7) Uani 1 1 d . . . . .
H31A H 1.1267 0.3636 0.9483 0.050 Uiso 1 1 calc R U . . .
C32 C 0.3680(3) 0.2814(2) 0.76886(15) 0.0258(5) Uani 1 1 d . . . . .
C33 C 0.4001(3) 0.3915(2) 0.78012(19) 0.0348(6) Uani 1 1 d . . . . .
H33A H 0.4947 0.4187 0.7797 0.042 Uiso 1 1 calc R U . . .
C34 C 0.2956(3) 0.4619(2) 0.7919(2) 0.0408(6) Uani 1 1 d . . . . .
H34A H 0.3198 0.5367 0.7997 0.049 Uiso 1 1 calc R U . . .
C35 C 0.1558(3) 0.4241(2) 0.79238(17) 0.0358(6) Uani 1 1 d . . . . .
C36 C 0.1231(3) 0.3141(2) 0.77804(16) 0.0324(5) Uani 1 1 d . . . . .
H36A H 0.0276 0.2866 0.7758 0.039 Uiso 1 1 calc R U . . .
C37 C 0.2270(3) 0.2429(2) 0.76682(15) 0.0281(5) Uani 1 1 d . . . . .
H37A H 0.2021 0.1679 0.7577 0.034 Uiso 1 1 calc R U . . .
C38 C 1.3374(4) -0.4884(3) 0.5948(2) 0.0434(7) Uani 1 1 d . . . . .
H38A H 1.3424 -0.5093 0.5365 0.065 Uiso 1 1 calc R U . . .
H38B H 1.3045 -0.5518 0.6105 0.065 Uiso 1 1 calc R U . . .
H38C H 1.4316 -0.4589 0.6247 0.065 Uiso 1 1 calc R U . . .
C39 C 1.3048(3) 0.3870(3) 1.20935(18) 0.0397(6) Uani 1 1 d . . . . .
H39A H 1.2931 0.3435 1.2466 0.060 Uiso 1 1 calc R U . . .
H39B H 1.2765 0.4592 1.2325 0.060 Uiso 1 1 calc R U . . .
H39C H 1.4043 0.3929 1.2010 0.060 Uiso 1 1 calc R U . . .
C40 C 0.0425(4) 0.5000(3) 0.8090(2) 0.0513(8) Uani 1 1 d . . . . .
H40A H 0.0822 0.5735 0.8138 0.077 Uiso 1 1 calc R U . . .
H40B H 0.0080 0.4983 0.8596 0.077 Uiso 1 1 calc R U . . .
H40C H -0.0364 0.4776 0.7643 0.077 Uiso 1 1 calc R U . . .
C41 C 0.8234(2) 0.12535(19) 0.65851(14) 0.0229(4) Uani 1 1 d . . . . .
C42 C 0.9303(3) 0.0893(2) 0.61207(14) 0.0258(5) Uani 1 1 d . . . . .
H42A H 0.9695 0.0248 0.6151 0.031 Uiso 1 1 calc R U . . .
C43 C 0.9810(3) 0.1453(2) 0.56141(15) 0.0281(5) Uani 1 1 d . . . . .
H43A H 1.0528 0.1179 0.5303 0.034 Uiso 1 1 calc R U . . .
C44 C 0.9280(3) 0.2406(2) 0.55591(15) 0.0276(5) Uani 1 1 d . . . . .
H44A H 0.9636 0.2793 0.5221 0.033 Uiso 1 1 calc R U . . .
C45 C 0.8207(3) 0.2778(2) 0.60162(15) 0.0257(5) Uani 1 1 d . . . . .
C46 C 0.7695(2) 0.2208(2) 0.65180(14) 0.0241(4) Uani 1 1 d . . . . .
H46A H 0.6964 0.2475 0.6821 0.029 Uiso 1 1 calc R U . . .
C47 C 0.7605(3) 0.3757(2) 0.59706(15) 0.0295(5) Uani 1 1 d . . . . .
C48 C 0.6417(2) -0.04589(19) 0.80465(15) 0.0250(4) Uani 1 1 d . . . . .
C49 C 0.5384(3) -0.1320(2) 0.76891(16) 0.0301(5) Uani 1 1 d . . . . .
H49A H 0.5131 -0.1540 0.7117 0.036 Uiso 1 1 calc R U . . .
C50 C 0.4708(3) -0.1868(2) 0.81520(17) 0.0329(5) Uani 1 1 d . . . . .
H50A H 0.4011 -0.2457 0.7890 0.039 Uiso 1 1 calc R U . . .
C51 C 0.5039(3) -0.1567(2) 0.89850(17) 0.0324(5) Uani 1 1 d . . . . .
C52 C 0.6058(3) -0.0696(2) 0.93476(17) 0.0332(5) Uani 1 1 d . . . . .
H52A H 0.6292 -0.0468 0.9921 0.040 Uiso 1 1 calc R U . . .
C53 C 0.6742(3) -0.0151(2) 0.88884(16) 0.0300(5) Uani 1 1 d . . . . .
H53A H 0.7437 0.0438 0.9152 0.036 Uiso 1 1 calc R U . . .
C54 C 0.4335(4) -0.2171(3) 0.9490(2) 0.0445(7) Uani 1 1 d . . . . .
H54A H 0.3313 -0.2302 0.9302 0.067 Uiso 1 1 calc R U . . .
H54B H 0.4504 -0.1740 1.0059 0.067 Uiso 1 1 calc R U . . .
H54C H 0.4732 -0.2861 0.9435 0.067 Uiso 1 1 calc R U . . .


_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 N4 1.9434(19) . ?
Pt1 N1 1.951(2) . ?
Pt1 N2 1.9730(19) . ?
Pt1 N3 1.9763(19) . ?
Pt1 C48 2.123(3) . ?
Pt1 C41 2.128(2) . ?
N1 C1 1.357(3) . ?
N1 C4 1.364(3) . ?
N2 C9 1.370(3) . ?
N2 C6 1.373(3) . ?
N3 C11 1.371(3) . ?
N3 C14 1.375(3) . ?
N4 C19 1.361(3) . ?
N4 C16 1.362(3) . ?
N5 C47 1.146(4) . ?
C1 C2 1.430(3) . ?
C1 C19 1.448(3) . ?
C2 C3 1.379(4) . ?
C2 H2A 0.9500 . ?
C3 C4 1.445(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.412(3) . ?
C5 C6 1.442(3) . ?
C5 C20 1.492(3) . ?
C6 C7 1.445(3) . ?
C7 C8 1.366(3) . ?
C7 H7A 0.9500 . ?
C8 C9 1.442(3) . ?
C8 H8A 0.9500 . ?
C9 C10 1.419(3) . ?
C10 C11 1.423(3) . ?
C10 C26 1.498(3) . ?
C11 C12 1.437(3) . ?
C12 C13 1.371(3) . ?
C12 H12A 0.9500 . ?
C13 C14 1.441(3) . ?
C13 H13A 0.9500 . ?
C14 C15 1.442(3) . ?
C15 C16 1.411(3) . ?
C15 C32 1.490(3) . ?
C16 C17 1.446(3) . ?
C17 C18 1.380(4) . ?
C17 H17A 0.9500 . ?
C18 C19 1.432(3) . ?
C18 H18A 0.9500 . ?
C20 C25 1.396(3) . ?
C20 C21 1.401(4) . ?
C21 C22 1.393(4) . ?
C21 H21A 0.9500 . ?
C22 C23 1.394(4) . ?
C22 H22A 0.9500 . ?
C23 C24 1.389(4) . ?
C23 C38 1.513(4) . ?
C24 C25 1.392(4) . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9500 . ?
C26 C31 1.384(4) . ?
C26 C27 1.388(4) . ?
C27 C28 1.383(4) . ?
C27 H27A 0.9500 . ?
C28 C29 1.384(4) . ?
C28 H28A 0.9500 . ?
C29 C30 1.385(4) . ?
C29 C39 1.518(4) . ?
C30 C31 1.395(4) . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9500 . ?
C32 C33 1.394(4) . ?
C32 C37 1.399(3) . ?
C33 C34 1.390(4) . ?
C33 H33A 0.9500 . ?
C34 C35 1.395(4) . ?
C34 H34A 0.9500 . ?
C35 C36 1.387(4) . ?
C35 C40 1.509(4) . ?
C36 C37 1.392(4) . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C46 1.399(3) . ?
C41 C42 1.400(3) . ?
C42 C43 1.395(4) . ?
C42 H42A 0.9500 . ?
C43 C44 1.387(4) . ?
C43 H43A 0.9500 . ?
C44 C45 1.399(3) . ?
C44 H44A 0.9500 . ?
C45 C46 1.399(3) . ?
C45 C47 1.445(4) . ?
C46 H46A 0.9500 . ?
C48 C49 1.391(4) . ?
C48 C53 1.394(4) . ?
C49 C50 1.396(4) . ?
C49 H49A 0.9500 . ?
C50 C51 1.381(4) . ?
C50 H50A 0.9500 . ?
C51 C52 1.393(4) . ?
C51 C54 1.512(4) . ?
C52 C53 1.392(4) . ?
C52 H52A 0.9500 . ?
C53 H53A 0.9500 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N4 Pt1 N1 79.80(8) . . ?
N4 Pt1 N2 172.24(8) . . ?
N1 Pt1 N2 92.44(8) . . ?
N4 Pt1 N3 92.89(8) . . ?
N1 Pt1 N3 172.69(8) . . ?
N2 Pt1 N3 94.86(8) . . ?
N4 Pt1 C48 89.52(9) . . ?
N1 Pt1 C48 90.78(9) . . ?
N2 Pt1 C48 90.29(8) . . ?
N3 Pt1 C48 89.41(9) . . ?
N4 Pt1 C41 88.26(8) . . ?
N1 Pt1 C41 89.26(9) . . ?
N2 Pt1 C41 91.97(8) . . ?
N3 Pt1 C41 90.27(9) . . ?
C48 Pt1 C41 177.74(9) . . ?
C1 N1 C4 112.4(2) . . ?
C1 N1 Pt1 117.32(16) . . ?
C4 N1 Pt1 130.32(16) . . ?
C9 N2 C6 110.70(18) . . ?
C9 N2 Pt1 124.45(15) . . ?
C6 N2 Pt1 124.68(15) . . ?
C11 N3 C14 110.54(19) . . ?
C11 N3 Pt1 124.93(15) . . ?
C14 N3 Pt1 124.30(15) . . ?
C19 N4 C16 112.5(2) . . ?
C19 N4 Pt1 117.24(16) . . ?
C16 N4 Pt1 130.07(16) . . ?
N1 C1 C2 106.7(2) . . ?
N1 C1 C19 112.6(2) . . ?
C2 C1 C19 140.7(2) . . ?
C3 C2 C1 107.5(2) . . ?
C3 C2 H2A 126.3 . . ?
C1 C2 H2A 126.3 . . ?
C2 C3 C4 108.2(2) . . ?
C2 C3 H3A 125.9 . . ?
C4 C3 H3A 125.9 . . ?
N1 C4 C5 121.4(2) . . ?
N1 C4 C3 105.3(2) . . ?
C5 C4 C3 133.3(2) . . ?
C4 C5 C6 125.2(2) . . ?
C4 C5 C20 117.4(2) . . ?
C6 C5 C20 117.4(2) . . ?
N2 C6 C5 126.0(2) . . ?
N2 C6 C7 106.46(19) . . ?
C5 C6 C7 127.5(2) . . ?
C8 C7 C6 108.1(2) . . ?
C8 C7 H7A 125.9 . . ?
C6 C7 H7A 125.9 . . ?
C7 C8 C9 107.8(2) . . ?
C7 C8 H8A 126.1 . . ?
C9 C8 H8A 126.1 . . ?
N2 C9 C10 125.0(2) . . ?
N2 C9 C8 106.9(2) . . ?
C10 C9 C8 128.1(2) . . ?
C9 C10 C11 126.4(2) . . ?
C9 C10 C26 116.1(2) . . ?
C11 C10 C26 117.4(2) . . ?
N3 C11 C10 124.2(2) . . ?
N3 C11 C12 107.21(19) . . ?
C10 C11 C12 128.4(2) . . ?
C13 C12 C11 107.5(2) . . ?
C13 C12 H12A 126.3 . . ?
C11 C12 H12A 126.3 . . ?
C12 C13 C14 108.4(2) . . ?
C12 C13 H13A 125.8 . . ?
C14 C13 H13A 125.8 . . ?
N3 C14 C13 106.4(2) . . ?
N3 C14 C15 125.5(2) . . ?
C13 C14 C15 128.1(2) . . ?
C16 C15 C14 125.7(2) . . ?
C16 C15 C32 117.3(2) . . ?
C14 C15 C32 117.0(2) . . ?
N4 C16 C15 121.3(2) . . ?
N4 C16 C17 105.1(2) . . ?
C15 C16 C17 133.5(2) . . ?
C18 C17 C16 108.6(2) . . ?
C18 C17 H17A 125.7 . . ?
C16 C17 H17A 125.7 . . ?
C17 C18 C19 107.2(2) . . ?
C17 C18 H18A 126.4 . . ?
C19 C18 H18A 126.4 . . ?
N4 C19 C18 106.6(2) . . ?
N4 C19 C1 112.9(2) . . ?
C18 C19 C1 140.5(2) . . ?
C25 C20 C21 118.4(2) . . ?
C25 C20 C5 120.8(2) . . ?
C21 C20 C5 120.8(2) . . ?
C22 C21 C20 120.6(3) . . ?
C22 C21 H21A 119.7 . . ?
C20 C21 H21A 119.7 . . ?
C21 C22 C23 121.1(3) . . ?
C21 C22 H22A 119.5 . . ?
C23 C22 H22A 119.5 . . ?
C24 C23 C22 117.9(2) . . ?
C24 C23 C38 120.5(3) . . ?
C22 C23 C38 121.6(3) . . ?
C23 C24 C25 121.6(2) . . ?
C23 C24 H24A 119.2 . . ?
C25 C24 H24A 119.2 . . ?
C24 C25 C20 120.3(2) . . ?
C24 C25 H25A 119.8 . . ?
C20 C25 H25A 119.8 . . ?
C31 C26 C27 118.2(2) . . ?
C31 C26 C10 122.0(2) . . ?
C27 C26 C10 119.8(2) . . ?
C28 C27 C26 121.4(3) . . ?
C28 C27 H27A 119.3 . . ?
C26 C27 H27A 119.3 . . ?
C27 C28 C29 121.0(3) . . ?
C27 C28 H28A 119.5 . . ?
C29 C28 H28A 119.5 . . ?
C28 C29 C30 117.7(2) . . ?
C28 C29 C39 121.4(3) . . ?
C30 C29 C39 120.9(3) . . ?
C29 C30 C31 121.7(3) . . ?
C29 C30 H30A 119.1 . . ?
C31 C30 H30A 119.1 . . ?
C26 C31 C30 120.1(3) . . ?
C26 C31 H31A 120.0 . . ?
C30 C31 H31A 120.0 . . ?
C33 C32 C37 118.3(2) . . ?
C33 C32 C15 121.3(2) . . ?
C37 C32 C15 120.4(2) . . ?
C34 C33 C32 121.0(3) . . ?
C34 C33 H33A 119.5 . . ?
C32 C33 H33A 119.5 . . ?
C33 C34 C35 120.7(3) . . ?
C33 C34 H34A 119.6 . . ?
C35 C34 H34A 119.6 . . ?
C36 C35 C34 118.2(2) . . ?
C36 C35 C40 120.4(3) . . ?
C34 C35 C40 121.4(3) . . ?
C35 C36 C37 121.6(3) . . ?
C35 C36 H36A 119.2 . . ?
C37 C36 H36A 119.2 . . ?
C36 C37 C32 120.2(3) . . ?
C36 C37 H37A 119.9 . . ?
C32 C37 H37A 119.9 . . ?
C23 C38 H38A 109.5 . . ?
C23 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C23 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C29 C39 H39A 109.5 . . ?
C29 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C29 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C46 C41 C42 116.7(2) . . ?
C46 C41 Pt1 120.02(17) . . ?
C42 C41 Pt1 123.23(18) . . ?
C43 C42 C41 121.9(2) . . ?
C43 C42 H42A 119.0 . . ?
C41 C42 H42A 119.0 . . ?
C44 C43 C42 120.9(2) . . ?
C44 C43 H43A 119.5 . . ?
C42 C43 H43A 119.5 . . ?
C43 C44 C45 118.1(2) . . ?
C43 C44 H44A 121.0 . . ?
C45 C44 H44A 121.0 . . ?
C44 C45 C46 120.7(2) . . ?
C44 C45 C47 120.2(2) . . ?
C46 C45 C47 119.1(2) . . ?
C41 C46 C45 121.7(2) . . ?
C41 C46 H46A 119.2 . . ?
C45 C46 H46A 119.2 . . ?
N5 C47 C45 177.5(3) . . ?
C49 C48 C53 117.5(2) . . ?
C49 C48 Pt1 120.34(18) . . ?
C53 C48 Pt1 122.13(18) . . ?
C48 C49 C50 121.5(2) . . ?
C48 C49 H49A 119.3 . . ?
C50 C49 H49A 119.3 . . ?
C51 C50 C49 120.9(3) . . ?
C51 C50 H50A 119.5 . . ?
C49 C50 H50A 119.5 . . ?
C50 C51 C52 117.9(2) . . ?
C50 C51 C54 121.3(3) . . ?
C52 C51 C54 120.8(3) . . ?
C53 C52 C51 121.4(3) . . ?
C53 C52 H52A 119.3 . . ?
C51 C52 H52A 119.3 . . ?
C52 C53 C48 120.8(3) . . ?
C52 C53 H53A 119.6 . . ?
C48 C53 H53A 119.6 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?

_refine_diff_density_max         3.871
_refine_diff_density_min         -1.225
_refine_diff_density_rms         0.105

_shelxl_version_number           2013-4

_database_code_depnum_ccdc_archive 'CCDC 995764'
