# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_PtL3acac
_database_code_depnum_ccdc_archive 'CCDC 1443584'
_audit_update_record             
;
2015-12-21 deposited with the CCDC.
2016-05-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H44 N2 O3 Pt'
_chemical_formula_sum            'C44 H44 N2 O3 Pt'
_chemical_formula_weight         843.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.5181(11)
_cell_length_b                   14.2716(10)
_cell_length_c                   16.0586(11)
_cell_angle_alpha                90
_cell_angle_beta                 117.1440(10)
_cell_angle_gamma                90
_cell_volume                     3572.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    59936
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Plate
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_F_000             1696
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    3.971
_shelx_estimated_absorpt_T_min   0.716
_shelx_estimated_absorpt_T_max   0.961
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.819
_exptl_absorpt_process_details   
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 2012)
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_source_power             2.475
_diffrn_source_voltage           45.0
_diffrn_source_current           55.0
_diffrn_source                   'Rotating Anode'

_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_collimation    'Confocal mirrors, VHF Varimax '

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_detector_area_resol_mean 28.5714

_diffrn_measurement_device       'four-circle κ diffractometer'
_diffrn_measurement_device_type  'Rigaku AFC12 (Right)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroMesh'
_diffrn_reflns_number            62763
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.613
_diffrn_reflns_theta_max         27.505
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8196
_reflns_number_gt                7554
_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       
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 2012)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 2012)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 2012)
;
_computing_structure_solution    'SUPERFLIP (Palatinus & Chapuis, 2007)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WINGX (Farrugia, 1998)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0345P)²+2.0896P] 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         8196
_refine_ls_number_parameters     454
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0236
_refine_ls_wR_factor_ref         0.0611
_refine_ls_wR_factor_gt          0.0592
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.003
_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 0.56645(2) 0.07448(2) 0.57323(2) 0.02811(4) Uani 1 1 d . . . . .
C1 C 0.57282(15) 0.14949(17) 0.47418(16) 0.0319(5) Uani 1 1 d . . . . .
C2 C 0.52009(16) 0.22581(18) 0.42734(18) 0.0385(6) Uani 1 1 d . . . . .
H2 H 0.4742 0.2430 0.4404 0.046 Uiso 1 1 calc R U . . .
C3 C 0.53452(18) 0.2760(2) 0.3624(2) 0.0447(6) Uani 1 1 d . . . . .
H3 H 0.4986 0.3278 0.3316 0.054 Uiso 1 1 calc R U . . .
C4 C 0.6008(2) 0.2522(2) 0.34122(19) 0.0466(7) Uani 1 1 d . . . . .
H4 H 0.6094 0.2873 0.2960 0.056 Uiso 1 1 calc R U . . .
C5 C 0.65399(17) 0.1775(2) 0.38612(18) 0.0395(6) Uani 1 1 d . . . . .
H5 H 0.6996 0.1608 0.3725 0.047 Uiso 1 1 calc R U . . .
C6 C 0.63909(15) 0.12677(17) 0.45219(16) 0.0315(5) Uani 1 1 d . . . . .
C7 C 0.69113(14) 0.04694(17) 0.50541(16) 0.0286(5) Uani 1 1 d . . . . .
C8 C 0.76218(14) 0.01371(17) 0.49510(16) 0.0294(5) Uani 1 1 d . . . . .
H8 H 0.7734 0.0388 0.4470 0.035 Uiso 1 1 calc R U . . .
C9 C 0.81487(14) -0.05352(17) 0.55257(16) 0.0276(4) Uani 1 1 d . . . . .
C10 C 0.79094(15) -0.09846(17) 0.61616(16) 0.0282(5) Uani 1 1 d . . . . .
C11 C 0.71466(15) -0.06836(15) 0.61897(16) 0.0261(5) Uani 1 1 d . . . . .
C12 C 0.68655(15) -0.11772(18) 0.67636(18) 0.0331(5) Uani 1 1 d . . . . .
H12 H 0.6344 -0.1007 0.6770 0.040 Uiso 1 1 calc R U . . .
C13 C 0.73498(17) -0.19050(19) 0.7312(2) 0.0394(6) Uani 1 1 d . . . . .
H13 H 0.7157 -0.2231 0.7697 0.047 Uiso 1 1 calc R U . . .
C14 C 0.81231(17) -0.2179(2) 0.7316(2) 0.0412(6) Uani 1 1 d . . . . .
H14 H 0.8456 -0.2671 0.7715 0.049 Uiso 1 1 calc R U . . .
C15 C 0.83921(15) -0.17346(18) 0.67454(18) 0.0341(5) Uani 1 1 d . . . . .
H15 H 0.8908 -0.1929 0.6738 0.041 Uiso 1 1 calc R U . . .
C16 C 0.89187(16) -0.08143(16) 0.53925(17) 0.0290(5) Uani 1 1 d . . . . .
C17 C 1.04585(16) -0.07456(17) 0.58909(18) 0.0309(5) Uani 1 1 d . . . . .
H17A H 1.0728 -0.0139 0.5879 0.037 Uiso 1 1 calc R U . . .
H17B H 1.0252 -0.1035 0.5265 0.037 Uiso 1 1 calc R U . . .
C18 C 1.11415(15) -0.13791(19) 0.66071(17) 0.0343(5) Uani 1 1 d . . . . .
C19 C 1.19176(16) -0.0998(2) 0.73016(18) 0.0379(6) Uani 1 1 d . . . . .
C20 C 1.21044(16) -0.0018(2) 0.74172(19) 0.0425(7) Uani 1 1 d . . . . .
H20 H 1.1700 0.0411 0.6991 0.051 Uiso 1 1 calc R U . . .
C21 C 1.28504(18) 0.0320(3) 0.8126(2) 0.0516(8) Uani 1 1 d . . . . .
H21 H 1.2954 0.0976 0.8185 0.062 Uiso 1 1 calc R U . . .
C22 C 1.34708(18) -0.0304(3) 0.8775(2) 0.0564(9) Uani 1 1 d . . . . .
H22 H 1.3977 -0.0063 0.9277 0.068 Uiso 1 1 calc R U . . .
C23 C 1.33386(19) -0.1235(3) 0.8675(2) 0.0540(8) Uani 1 1 d . . . . .
H23 H 1.3765 -0.1645 0.9100 0.065 Uiso 1 1 calc R U . . .
C24 C 1.25709(17) -0.1622(2) 0.79440(19) 0.0445(7) Uani 1 1 d . . . . .
C25 C 1.24429(19) -0.2587(2) 0.7838(2) 0.0489(8) Uani 1 1 d . . . . .
H25 H 1.2884 -0.2994 0.8247 0.059 Uiso 1 1 calc R U . . .
C26 C 1.16919(19) -0.2973(2) 0.71548(19) 0.0441(7) Uani 1 1 d . . . . .
C27 C 1.1573(3) -0.3960(2) 0.7048(2) 0.0557(9) Uani 1 1 d . . . . .
H27 H 1.2024 -0.4362 0.7448 0.067 Uiso 1 1 calc R U . . .
C28 C 1.0837(3) -0.4342(2) 0.6395(3) 0.0575(10) Uani 1 1 d . . . . .
H28 H 1.0773 -0.5003 0.6337 0.069 Uiso 1 1 calc R U . . .
C29 C 1.0162(2) -0.3747(2) 0.5797(2) 0.0484(7) Uani 1 1 d . . . . .
H29 H 0.9640 -0.4016 0.5345 0.058 Uiso 1 1 calc R U . . .
C30 C 1.02456(19) -0.2795(2) 0.58577(19) 0.0406(6) Uani 1 1 d . . . . .
H30 H 0.9783 -0.2414 0.5443 0.049 Uiso 1 1 calc R U . . .
C31 C 1.10164(17) -0.23597(19) 0.65333(18) 0.0375(6) Uani 1 1 d . . . . .
C32 C 0.98670(15) -0.00029(17) 0.68925(16) 0.0306(5) Uani 1 1 d . . . . .
H32A H 1.0389 -0.0249 0.7428 0.037 Uiso 1 1 calc R U . . .
H32B H 0.9381 -0.0098 0.7038 0.037 Uiso 1 1 calc R U . . .
C33 C 0.99833(15) 0.10527(19) 0.68117(18) 0.0333(5) Uani 1 1 d . . . . .
H33A H 1.0213 0.1333 0.7444 0.040 Uiso 1 1 calc R U . . .
H33B H 1.0417 0.1146 0.6585 0.040 Uiso 1 1 calc R U . . .
C34 C 0.91706(15) 0.15783(17) 0.61637(16) 0.0308(5) Uani 1 1 d . . . . .
H34A H 0.8711 0.1410 0.6333 0.037 Uiso 1 1 calc R U . . .
H34B H 0.8988 0.1361 0.5515 0.037 Uiso 1 1 calc R U . . .
C35 C 0.92531(15) 0.26456(18) 0.61844(16) 0.0327(5) Uani 1 1 d . . . . .
H35A H 0.9366 0.2881 0.6810 0.039 Uiso 1 1 calc R U . . .
H35B H 0.9745 0.2824 0.6073 0.039 Uiso 1 1 calc R U . . .
C36 C 0.84347(15) 0.30964(18) 0.54393(16) 0.0328(5) Uani 1 1 d . . . . .
H36A H 0.8346 0.2880 0.4816 0.039 Uiso 1 1 calc R U . . .
H36B H 0.7942 0.2873 0.5529 0.039 Uiso 1 1 calc R U . . .
C37 C 0.84369(19) 0.41596(18) 0.5448(2) 0.0398(6) Uani 1 1 d . . . . .
H37A H 0.8944 0.4388 0.5389 0.048 Uiso 1 1 calc R U . . .
H37B H 0.8489 0.4381 0.6055 0.048 Uiso 1 1 calc R U . . .
C38 C 0.76250(19) 0.4575(2) 0.4656(2) 0.0464(7) Uani 1 1 d . . . . .
H38A H 0.7560 0.4330 0.4051 0.056 Uiso 1 1 calc R U . . .
H38B H 0.7121 0.4369 0.4732 0.056 Uiso 1 1 calc R U . . .
C39 C 0.7639(3) 0.5640(3) 0.4633(4) 0.0771(13) Uani 1 1 d . . . . .
H39A H 0.7103 0.5868 0.4120 0.116 Uiso 1 1 calc R U . . .
H39B H 0.8125 0.5849 0.4536 0.116 Uiso 1 1 calc R U . . .
H39C H 0.7697 0.5888 0.5228 0.116 Uiso 1 1 calc R U . . .
N1 N 0.66779(11) 0.00822(13) 0.56682(13) 0.0261(4) Uani 1 1 d . . . . .
N2 N 0.97079(12) -0.05586(14) 0.60582(14) 0.0287(4) Uani 1 1 d . . . . .
O1 O 0.87856(11) -0.12318(12) 0.46667(11) 0.0337(4) Uani 1 1 d . . . . .
C51 C 0.42328(16) 0.14388(19) 0.60683(18) 0.0380(6) Uani 1 1 d . . . . .
C52 C 0.43364(18) 0.07589(19) 0.6721(2) 0.0395(6) Uani 1 1 d . . . . .
H52 H 0.3904 0.0708 0.6920 0.047 Uiso 1 1 calc R U . . .
C53 C 0.50307(16) 0.0135(2) 0.71151(18) 0.0381(6) Uani 1 1 d . . . . .
C54 C 0.35372(18) 0.2162(2) 0.5824(2) 0.0473(7) Uani 1 1 d . . . . .
H54A H 0.3054 0.1888 0.5888 0.071 Uiso 1 1 calc R U . . .
H54B H 0.3342 0.2370 0.5177 0.071 Uiso 1 1 calc R U . . .
H54C H 0.3763 0.2699 0.6247 0.071 Uiso 1 1 calc R U . . .
C55 C 0.5128(2) -0.0476(2) 0.7920(2) 0.0477(7) Uani 1 1 d . . . . .
H55A H 0.5598 -0.0240 0.8500 0.072 Uiso 1 1 calc R U . . .
H55B H 0.5255 -0.1120 0.7809 0.072 Uiso 1 1 calc R U . . .
H55C H 0.4593 -0.0468 0.7975 0.072 Uiso 1 1 calc R U . . .
O51 O 0.46987(11) 0.15578(13) 0.56455(12) 0.0377(4) Uani 1 1 d . . . . .
O52 O 0.56223(11) 0.00557(13) 0.68700(12) 0.0351(4) Uani 1 1 d . . . . .


_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 C1 1.962(3) . ?
Pt1 O51 2.0032(17) . ?
Pt1 N1 2.0550(18) . ?
Pt1 O52 2.1057(18) . ?
Pt1 Pt1 3.2365(2) 3_656 ?
C1 C6 1.397(3) . ?
C1 C2 1.404(3) . ?
C2 C3 1.380(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.393(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.403(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.466(3) . ?
C7 N1 1.346(3) . ?
C7 C8 1.410(3) . ?
C8 C9 1.359(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.421(3) . ?
C9 C16 1.512(3) . ?
C10 C15 1.420(3) . ?
C10 C11 1.424(3) . ?
C11 N1 1.394(3) . ?
C11 C12 1.415(3) . ?
C12 C13 1.376(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.407(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.363(3) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 O1 1.233(3) . ?
C16 N2 1.356(3) . ?
C17 N2 1.481(3) . ?
C17 C18 1.522(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C31 1.413(4) . ?
C18 C19 1.416(4) . ?
C19 C20 1.429(4) . ?
C19 C24 1.445(3) . ?
C20 C21 1.371(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.423(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.345(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.432(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.394(5) . ?
C25 C26 1.386(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.424(5) . ?
C26 C31 1.444(3) . ?
C27 C28 1.352(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.416(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.366(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.431(4) . ?
C30 H30 0.9500 . ?
C32 N2 1.470(3) . ?
C32 C33 1.534(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.523(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.529(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.528(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.517(3) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.530(4) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.520(5) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C51 O51 1.289(3) . ?
C51 C52 1.378(4) . ?
C51 C54 1.506(3) . ?
C52 C53 1.404(4) . ?
C52 H52 0.9500 . ?
C53 O52 1.270(3) . ?
C53 C55 1.503(4) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 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
C1 Pt1 O51 89.21(9) . . ?
C1 Pt1 N1 80.83(9) . . ?
O51 Pt1 N1 169.91(8) . . ?
C1 Pt1 O52 174.64(8) . . ?
O51 Pt1 O52 88.17(7) . . ?
N1 Pt1 O52 101.63(7) . . ?
C1 Pt1 Pt1 93.29(7) . 3_656 ?
O51 Pt1 Pt1 91.44(5) . 3_656 ?
N1 Pt1 Pt1 90.74(5) . 3_656 ?
O52 Pt1 Pt1 91.45(5) . 3_656 ?
C6 C1 C2 117.6(2) . . ?
C6 C1 Pt1 116.07(17) . . ?
C2 C1 Pt1 126.2(2) . . ?
C3 C2 C1 120.3(3) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 121.2(2) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C5 C4 C3 120.0(3) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 118.6(3) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C1 C6 C5 122.3(2) . . ?
C1 C6 C7 113.6(2) . . ?
C5 C6 C7 124.1(2) . . ?
N1 C7 C8 121.8(2) . . ?
N1 C7 C6 115.5(2) . . ?
C8 C7 C6 122.7(2) . . ?
C9 C8 C7 121.3(2) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C10 118.4(2) . . ?
C8 C9 C16 117.6(2) . . ?
C10 C9 C16 123.9(2) . . ?
C15 C10 C9 122.2(2) . . ?
C15 C10 C11 119.4(2) . . ?
C9 C10 C11 118.4(2) . . ?
N1 C11 C12 119.8(2) . . ?
N1 C11 C10 121.4(2) . . ?
C12 C11 C10 118.8(2) . . ?
C13 C12 C11 119.8(2) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 C14 121.6(2) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
C15 C14 C13 119.7(2) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C10 120.7(2) . . ?
C14 C15 H15 119.7 . . ?
C10 C15 H15 119.7 . . ?
O1 C16 N2 124.1(2) . . ?
O1 C16 C9 117.7(2) . . ?
N2 C16 C9 118.2(2) . . ?
N2 C17 C18 115.26(19) . . ?
N2 C17 H17A 108.5 . . ?
C18 C17 H17A 108.5 . . ?
N2 C17 H17B 108.5 . . ?
C18 C17 H17B 108.5 . . ?
H17A C17 H17B 107.5 . . ?
C31 C18 C19 120.2(2) . . ?
C31 C18 C17 119.1(2) . . ?
C19 C18 C17 120.6(2) . . ?
C18 C19 C20 124.0(2) . . ?
C18 C19 C24 119.3(3) . . ?
C20 C19 C24 116.8(3) . . ?
C21 C20 C19 121.8(3) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C20 C21 C22 120.5(3) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C23 C22 C21 119.9(3) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 121.6(3) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C25 C24 C23 121.3(3) . . ?
C25 C24 C19 119.4(3) . . ?
C23 C24 C19 119.3(3) . . ?
C26 C25 C24 122.1(3) . . ?
C26 C25 H25 119.0 . . ?
C24 C25 H25 119.0 . . ?
C25 C26 C27 121.5(3) . . ?
C25 C26 C31 119.3(3) . . ?
C27 C26 C31 119.2(3) . . ?
C28 C27 C26 121.8(3) . . ?
C28 C27 H27 119.1 . . ?
C26 C27 H27 119.1 . . ?
C27 C28 C29 119.4(3) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 H28 120.3 . . ?
C30 C29 C28 121.2(3) . . ?
C30 C29 H29 119.4 . . ?
C28 C29 H29 119.4 . . ?
C29 C30 C31 121.3(3) . . ?
C29 C30 H30 119.3 . . ?
C31 C30 H30 119.3 . . ?
C18 C31 C30 123.4(2) . . ?
C18 C31 C26 119.7(3) . . ?
C30 C31 C26 117.0(3) . . ?
N2 C32 C33 115.47(19) . . ?
N2 C32 H32A 108.4 . . ?
C33 C32 H32A 108.4 . . ?
N2 C32 H32B 108.4 . . ?
C33 C32 H32B 108.4 . . ?
H32A C32 H32B 107.5 . . ?
C34 C33 C32 115.0(2) . . ?
C34 C33 H33A 108.5 . . ?
C32 C33 H33A 108.5 . . ?
C34 C33 H33B 108.5 . . ?
C32 C33 H33B 108.5 . . ?
H33A C33 H33B 107.5 . . ?
C33 C34 C35 115.2(2) . . ?
C33 C34 H34A 108.5 . . ?
C35 C34 H34A 108.5 . . ?
C33 C34 H34B 108.5 . . ?
C35 C34 H34B 108.5 . . ?
H34A C34 H34B 107.5 . . ?
C36 C35 C34 110.9(2) . . ?
C36 C35 H35A 109.5 . . ?
C34 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 108.0 . . ?
C37 C36 C35 114.6(2) . . ?
C37 C36 H36A 108.6 . . ?
C35 C36 H36A 108.6 . . ?
C37 C36 H36B 108.6 . . ?
C35 C36 H36B 108.6 . . ?
H36A C36 H36B 107.6 . . ?
C36 C37 C38 112.5(2) . . ?
C36 C37 H37A 109.1 . . ?
C38 C37 H37A 109.1 . . ?
C36 C37 H37B 109.1 . . ?
C38 C37 H37B 109.1 . . ?
H37A C37 H37B 107.8 . . ?
C39 C38 C37 112.9(3) . . ?
C39 C38 H38A 109.0 . . ?
C37 C38 H38A 109.0 . . ?
C39 C38 H38B 109.0 . . ?
C37 C38 H38B 109.0 . . ?
H38A C38 H38B 107.8 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C7 N1 C11 117.99(19) . . ?
C7 N1 Pt1 113.94(15) . . ?
C11 N1 Pt1 128.05(15) . . ?
C16 N2 C32 124.4(2) . . ?
C16 N2 C17 118.6(2) . . ?
C32 N2 C17 116.59(19) . . ?
O51 C51 C52 126.7(2) . . ?
O51 C51 C54 113.8(3) . . ?
C52 C51 C54 119.4(3) . . ?
C51 C52 C53 125.2(3) . . ?
C51 C52 H52 117.4 . . ?
C53 C52 H52 117.4 . . ?
O52 C53 C52 125.3(3) . . ?
O52 C53 C55 115.2(2) . . ?
C52 C53 C55 119.4(2) . . ?
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 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C51 O51 Pt1 127.21(18) . . ?
C53 O52 Pt1 125.71(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -0.3(4) . . . . ?
Pt1 C1 C2 C3 176.3(2) . . . . ?
C1 C2 C3 C4 0.5(4) . . . . ?
C2 C3 C4 C5 -0.5(4) . . . . ?
C3 C4 C5 C6 0.4(4) . . . . ?
C2 C1 C6 C5 0.2(4) . . . . ?
Pt1 C1 C6 C5 -176.80(19) . . . . ?
C2 C1 C6 C7 179.3(2) . . . . ?
Pt1 C1 C6 C7 2.3(3) . . . . ?
C4 C5 C6 C1 -0.2(4) . . . . ?
C4 C5 C6 C7 -179.3(2) . . . . ?
C1 C6 C7 N1 -0.2(3) . . . . ?
C5 C6 C7 N1 178.9(2) . . . . ?
C1 C6 C7 C8 -178.8(2) . . . . ?
C5 C6 C7 C8 0.3(4) . . . . ?
N1 C7 C8 C9 -5.9(4) . . . . ?
C6 C7 C8 C9 172.6(2) . . . . ?
C7 C8 C9 C10 7.8(4) . . . . ?
C7 C8 C9 C16 -177.1(2) . . . . ?
C8 C9 C10 C15 175.9(2) . . . . ?
C16 C9 C10 C15 1.2(4) . . . . ?
C8 C9 C10 C11 -2.3(3) . . . . ?
C16 C9 C10 C11 -177.1(2) . . . . ?
C15 C10 C11 N1 176.4(2) . . . . ?
C9 C10 C11 N1 -5.3(3) . . . . ?
C15 C10 C11 C12 -3.5(3) . . . . ?
C9 C10 C11 C12 174.9(2) . . . . ?
N1 C11 C12 C13 -176.9(2) . . . . ?
C10 C11 C12 C13 3.0(4) . . . . ?
C11 C12 C13 C14 -0.3(4) . . . . ?
C12 C13 C14 C15 -1.9(5) . . . . ?
C13 C14 C15 C10 1.4(4) . . . . ?
C9 C10 C15 C14 -177.0(3) . . . . ?
C11 C10 C15 C14 1.3(4) . . . . ?
C8 C9 C16 O1 -68.1(3) . . . . ?
C10 C9 C16 O1 106.7(3) . . . . ?
C8 C9 C16 N2 109.4(3) . . . . ?
C10 C9 C16 N2 -75.8(3) . . . . ?
N2 C17 C18 C31 80.5(3) . . . . ?
N2 C17 C18 C19 -103.6(3) . . . . ?
C31 C18 C19 C20 178.9(2) . . . . ?
C17 C18 C19 C20 3.1(4) . . . . ?
C31 C18 C19 C24 -1.2(3) . . . . ?
C17 C18 C19 C24 -177.1(2) . . . . ?
C18 C19 C20 C21 177.1(3) . . . . ?
C24 C19 C20 C21 -2.7(4) . . . . ?
C19 C20 C21 C22 0.3(4) . . . . ?
C20 C21 C22 C23 2.2(5) . . . . ?
C21 C22 C23 C24 -2.0(4) . . . . ?
C22 C23 C24 C25 179.2(3) . . . . ?
C22 C23 C24 C19 -0.6(4) . . . . ?
C18 C19 C24 C25 3.2(4) . . . . ?
C20 C19 C24 C25 -176.9(2) . . . . ?
C18 C19 C24 C23 -177.0(2) . . . . ?
C20 C19 C24 C23 2.8(4) . . . . ?
C23 C24 C25 C26 177.7(2) . . . . ?
C19 C24 C25 C26 -2.5(4) . . . . ?
C24 C25 C26 C27 179.4(3) . . . . ?
C24 C25 C26 C31 -0.3(4) . . . . ?
C25 C26 C27 C28 178.8(3) . . . . ?
C31 C26 C27 C28 -1.6(4) . . . . ?
C26 C27 C28 C29 -0.1(5) . . . . ?
C27 C28 C29 C30 1.2(4) . . . . ?
C28 C29 C30 C31 -0.6(4) . . . . ?
C19 C18 C31 C30 179.2(2) . . . . ?
C17 C18 C31 C30 -5.0(3) . . . . ?
C19 C18 C31 C26 -1.5(3) . . . . ?
C17 C18 C31 C26 174.4(2) . . . . ?
C29 C30 C31 C18 178.3(2) . . . . ?
C29 C30 C31 C26 -1.0(4) . . . . ?
C25 C26 C31 C18 2.3(3) . . . . ?
C27 C26 C31 C18 -177.3(2) . . . . ?
C25 C26 C31 C30 -178.3(2) . . . . ?
C27 C26 C31 C30 2.0(3) . . . . ?
N2 C32 C33 C34 70.9(3) . . . . ?
C32 C33 C34 C35 171.8(2) . . . . ?
C33 C34 C35 C36 174.1(2) . . . . ?
C34 C35 C36 C37 176.4(2) . . . . ?
C35 C36 C37 C38 176.9(2) . . . . ?
C36 C37 C38 C39 -177.5(3) . . . . ?
C8 C7 N1 C11 -1.8(3) . . . . ?
C6 C7 N1 C11 179.6(2) . . . . ?
C8 C7 N1 Pt1 176.72(17) . . . . ?
C6 C7 N1 Pt1 -1.9(3) . . . . ?
C12 C11 N1 C7 -172.9(2) . . . . ?
C10 C11 N1 C7 7.3(3) . . . . ?
C12 C11 N1 Pt1 8.9(3) . . . . ?
C10 C11 N1 Pt1 -171.01(16) . . . . ?
O1 C16 N2 C32 175.5(2) . . . . ?
C9 C16 N2 C32 -1.8(3) . . . . ?
O1 C16 N2 C17 3.2(3) . . . . ?
C9 C16 N2 C17 -174.06(19) . . . . ?
C33 C32 N2 C16 -96.3(3) . . . . ?
C33 C32 N2 C17 76.1(2) . . . . ?
C18 C17 N2 C16 -120.2(2) . . . . ?
C18 C17 N2 C32 67.0(3) . . . . ?
O51 C51 C52 C53 7.3(4) . . . . ?
C54 C51 C52 C53 -169.9(2) . . . . ?
C51 C52 C53 O52 -6.3(4) . . . . ?
C51 C52 C53 C55 171.1(3) . . . . ?
C52 C51 O51 Pt1 4.7(4) . . . . ?
C54 C51 O51 Pt1 -177.97(16) . . . . ?
C52 C53 O52 Pt1 -5.9(4) . . . . ?
C55 C53 O52 Pt1 176.58(18) . . . . ?

_refine_diff_density_max         1.589
_refine_diff_density_min         -0.578
_refine_diff_density_rms         0.084

####################################################################### 
# 
# 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_PtL4acac
_database_code_depnum_ccdc_archive 'CCDC 1443585'
_audit_update_record             
;
2015-12-21 deposited with the CCDC.
2016-05-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H44 N2 O3 Pt, 0.5(C7 H8)'
_chemical_formula_sum            'C49.50 H48 N2 O3 Pt'
_chemical_formula_weight         913.99

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   8.9153(5)
_cell_length_b                   12.6111(9)
_cell_length_c                   18.5893(13)
_cell_angle_alpha                77.279(3)
_cell_angle_beta                 83.655(3)
_cell_angle_gamma                76.145(3)
_cell_volume                     1975.7(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    26819
_cell_measurement_theta_min      2.4
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Plate
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_F_000             922
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    3.597
_shelx_estimated_absorpt_T_min   0.479
_shelx_estimated_absorpt_T_max   0.932
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.642
_exptl_absorpt_process_details   
;
Rigaku CrystalClear-SM Expert 3.1 b27
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_source_power             2.475
_diffrn_source_voltage           45.0
_diffrn_source_current           55.0
_diffrn_source                   'Rotating Anode'

_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_collimation    'Confocal mirrors, HF Varimax '

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_detector_area_resol_mean 28.5714

_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  'Rigaku AFC12 (Right)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroMesh'
_diffrn_reflns_number            26820
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.533
_diffrn_reflns_theta_max         27.521
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             9045
_reflns_number_gt                8652
_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       
;
Rigaku CrystalClear-SM Expert 3.1 b27
;
_computing_cell_refinement       
;
Rigaku CrystalClear-SM Expert 3.1 b27
;
_computing_data_reduction        
;
Rigaku CrystalClear-SM Expert 3.1 b27
;
_computing_structure_solution    'SUPERFLIP (Palatinus & Chapuis, 2007'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WINGX (Farrugia, 1998)'

_refine_special_details          
;
 There is a solvent molecule of toluene lying disordered over an
 inversion centre. Due to this various geometrical (SAME, SADI, FLAT) 
 and displacement (SIMU, DELU) restraints have been employed on this
 molecule.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0610P)²+0.6906P] 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         9045
_refine_ls_number_parameters     536
_refine_ls_number_restraints     80
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0303
_refine_ls_wR_factor_ref         0.0853
_refine_ls_wR_factor_gt          0.0843
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.51782(2) -0.11192(2) 0.73287(2) 0.01939(5) Uani 1 1 d . . . . .
C1 C 0.2967(4) -0.0791(3) 0.76550(18) 0.0230(6) Uani 1 1 d . . . . .
C2 C 0.2239(3) -0.1353(3) 0.82786(17) 0.0264(6) Uani 1 1 d . . . . .
H2 H 0.2828 -0.1984 0.8587 0.032 Uiso 1 1 calc R U . . .
C3 C 0.0669(4) -0.1002(3) 0.84530(19) 0.0313(7) Uani 1 1 d . . . . .
H3 H 0.0198 -0.1396 0.8878 0.038 Uiso 1 1 calc R U . . .
C4 C -0.0228(4) -0.0074(3) 0.80106(19) 0.0323(7) Uani 1 1 d . . . . .
H4 H -0.1300 0.0164 0.8136 0.039 Uiso 1 1 calc R U . . .
C5 C 0.0467(4) 0.0496(3) 0.73841(18) 0.0283(6) Uani 1 1 d . . . . .
H5 H -0.0127 0.1127 0.7078 0.034 Uiso 1 1 calc R U . . .
C6 C 0.2050(4) 0.0130(3) 0.72111(17) 0.0228(6) Uani 1 1 d . . . . .
C7 C 0.2899(3) 0.0645(2) 0.65593(16) 0.0218(5) Uani 1 1 d . . . . .
C8 C 0.2206(3) 0.1617(2) 0.60707(16) 0.0224(5) Uani 1 1 d . . . . .
H8 H 0.1130 0.1925 0.6138 0.027 Uiso 1 1 calc R U . . .
C9 C 0.3057(3) 0.2124(3) 0.55012(17) 0.0218(6) Uani 1 1 d . . . . .
C10 C 0.4612(3) 0.1575(2) 0.53559(16) 0.0218(5) Uani 1 1 d . . . . .
C11 C 0.5224(3) 0.0537(2) 0.58235(15) 0.0212(5) Uani 1 1 d . . . . .
C12 C 0.6708(3) -0.0082(3) 0.56237(16) 0.0241(6) Uani 1 1 d . . . . .
H12 H 0.7111 -0.0794 0.5914 0.029 Uiso 1 1 calc R U . . .
C13 C 0.7559(3) 0.0340(3) 0.50191(17) 0.0259(6) Uani 1 1 d . . . . .
H13 H 0.8551 -0.0084 0.4897 0.031 Uiso 1 1 calc R U . . .
C14 C 0.6992(4) 0.1397(3) 0.45705(18) 0.0290(6) Uani 1 1 d . . . . .
H14 H 0.7609 0.1687 0.4159 0.035 Uiso 1 1 calc R U . . .
C15 C 0.5539(4) 0.1999(3) 0.47369(17) 0.0255(6) Uani 1 1 d . . . . .
H15 H 0.5150 0.2705 0.4435 0.031 Uiso 1 1 calc R U . . .
C16 C 0.2233(3) 0.3134(2) 0.49720(16) 0.0223(5) Uani 1 1 d . . . . .
C17 C 0.1597(3) 0.5122(2) 0.44753(16) 0.0229(6) Uani 1 1 d . . . . .
H17A H 0.0837 0.5576 0.4780 0.027 Uiso 1 1 calc R U . . .
H17B H 0.1005 0.4844 0.4165 0.027 Uiso 1 1 calc R U . . .
C18 C 0.2529(3) 0.5877(3) 0.39696(16) 0.0205(6) Uani 1 1 d . . . . .
C19 C 0.2264(3) 0.6984(3) 0.40493(17) 0.0243(6) Uani 1 1 d . . . . .
H19 H 0.1616 0.7209 0.4455 0.029 Uiso 1 1 calc R U . . .
C20 C 0.2926(3) 0.7764(3) 0.35501(18) 0.0246(6) Uani 1 1 d . . . . .
H20 H 0.2706 0.8514 0.3614 0.029 Uiso 1 1 calc R U . . .
C21 C 0.3910(3) 0.7458(3) 0.29555(17) 0.0224(6) Uani 1 1 d . . . . .
C22 C 0.4611(4) 0.8247(3) 0.24187(19) 0.0272(6) Uani 1 1 d . . . . .
H22 H 0.4391 0.9005 0.2466 0.033 Uiso 1 1 calc R U . . .
C23 C 0.5566(4) 0.7929(3) 0.18569(18) 0.0284(7) Uani 1 1 d . . . . .
H23 H 0.6008 0.8466 0.1514 0.034 Uiso 1 1 calc R U . . .
C24 C 0.5933(4) 0.6790(3) 0.17632(18) 0.0249(6) Uani 1 1 d . . . . .
C25 C 0.5269(3) 0.5998(3) 0.22745(16) 0.0213(6) Uani 1 1 d . . . . .
C26 C 0.4228(3) 0.6328(2) 0.28737(16) 0.0193(5) Uani 1 1 d . . . . .
C27 C 0.3525(3) 0.5530(2) 0.33756(16) 0.0202(6) Uani 1 1 d . . . . .
C28 C 0.3856(3) 0.4409(2) 0.32556(16) 0.0222(6) Uani 1 1 d . . . . .
H28 H 0.3359 0.3878 0.3573 0.027 Uiso 1 1 calc R U . . .
C29 C 0.4863(4) 0.4088(3) 0.26988(17) 0.0250(6) Uani 1 1 d . . . . .
H29 H 0.5077 0.3334 0.2643 0.030 Uiso 1 1 calc R U . . .
C30 C 0.5611(4) 0.4867(3) 0.21932(17) 0.0235(6) Uani 1 1 d . . . . .
C31 C 0.6641(4) 0.4554(3) 0.16037(18) 0.0293(7) Uani 1 1 d . . . . .
H31 H 0.6880 0.3803 0.1542 0.035 Uiso 1 1 calc R U . . .
C32 C 0.7308(4) 0.5342(3) 0.11116(18) 0.0319(7) Uani 1 1 d . . . . .
H32 H 0.8014 0.5118 0.0723 0.038 Uiso 1 1 calc R U . . .
C33 C 0.6961(4) 0.6439(3) 0.11805(18) 0.0308(7) Uani 1 1 d . . . . .
H33 H 0.7414 0.6967 0.0834 0.037 Uiso 1 1 calc R U . . .
C34 C 0.3322(3) 0.4400(2) 0.55316(15) 0.0211(5) Uani 1 1 d . . . . .
H34A H 0.3935 0.4952 0.5283 0.025 Uiso 1 1 calc R U . . .
H34B H 0.4058 0.3710 0.5748 0.025 Uiso 1 1 calc R U . . .
C35 C 0.2276(3) 0.4860(2) 0.61604(16) 0.0224(5) Uani 1 1 d . . . . .
H35A H 0.2900 0.5147 0.6450 0.027 Uiso 1 1 calc R U . . .
H35B H 0.1454 0.5492 0.5943 0.027 Uiso 1 1 calc R U . . .
C36 C 0.1523(3) 0.3987(2) 0.66789(15) 0.0214(5) Uani 1 1 d . . . . .
H36A H 0.0917 0.3695 0.6383 0.026 Uiso 1 1 calc R U . . .
H36B H 0.2353 0.3358 0.6893 0.026 Uiso 1 1 calc R U . . .
C37 C 0.0462(3) 0.4393(2) 0.73098(16) 0.0223(5) Uani 1 1 d . . . . .
H37A H -0.0400 0.5003 0.7105 0.027 Uiso 1 1 calc R U . . .
H37B H 0.1049 0.4693 0.7610 0.027 Uiso 1 1 calc R U . . .
C38 C -0.0189(3) 0.3448(3) 0.77994(16) 0.0244(6) Uani 1 1 d . . . . .
H38A H 0.0684 0.2836 0.7990 0.029 Uiso 1 1 calc R U . . .
H38B H -0.0774 0.3156 0.7493 0.029 Uiso 1 1 calc R U . . .
C39 C -0.1255(3) 0.3783(3) 0.84559(17) 0.0253(6) Uani 1 1 d . . . . .
H39A H -0.0683 0.4091 0.8758 0.030 Uiso 1 1 calc R U . . .
H39B H -0.2149 0.4378 0.8268 0.030 Uiso 1 1 calc R U . . .
C40 C -0.1845(4) 0.2806(3) 0.89425(18) 0.0310(7) Uani 1 1 d . . . . .
H40A H -0.0949 0.2213 0.9131 0.037 Uiso 1 1 calc R U . . .
H40B H -0.2411 0.2497 0.8639 0.037 Uiso 1 1 calc R U . . .
C41 C -0.2915(5) 0.3133(3) 0.9598(2) 0.0404(8) Uani 1 1 d . . . . .
H41A H -0.3781 0.3743 0.9417 0.061 Uiso 1 1 calc R U . . .
H41B H -0.2335 0.3375 0.9926 0.061 Uiso 1 1 calc R U . . .
H41C H -0.3315 0.2489 0.9870 0.061 Uiso 1 1 calc R U . . .
N1 N 0.4385(3) 0.0130(2) 0.64521(14) 0.0209(5) Uani 1 1 d . . . . .
N2 N 0.2482(3) 0.4151(2) 0.49768(13) 0.0210(5) Uani 1 1 d . . . . .
O1 O 0.1369(3) 0.29766(19) 0.45525(12) 0.0289(5) Uani 1 1 d . . . . .
C51 C 0.8577(4) -0.2225(3) 0.73629(18) 0.0249(6) Uani 1 1 d . . . . .
C52 C 0.8328(4) -0.2922(3) 0.80465(17) 0.0270(6) Uani 1 1 d . . . . .
H52 H 0.9198 -0.3464 0.8245 0.032 Uiso 1 1 calc R U . . .
C53 C 0.6921(4) -0.2890(2) 0.84589(17) 0.0240(6) Uani 1 1 d . . . . .
C54 C 1.0173(4) -0.2361(3) 0.69842(19) 0.0303(7) Uani 1 1 d . . . . .
H54A H 1.0561 -0.1688 0.6958 0.046 Uiso 1 1 calc R U . . .
H54B H 1.0129 -0.2476 0.6483 0.046 Uiso 1 1 calc R U . . .
H54C H 1.0868 -0.3006 0.7264 0.046 Uiso 1 1 calc R U . . .
C55 C 0.6818(4) -0.3641(3) 0.91940(18) 0.0329(7) Uani 1 1 d . . . . .
H55A H 0.6129 -0.4134 0.9179 0.049 Uiso 1 1 calc R U . . .
H55B H 0.6405 -0.3193 0.9570 0.049 Uiso 1 1 calc R U . . .
H55C H 0.7851 -0.4089 0.9317 0.049 Uiso 1 1 calc R U . . .
O51 O 0.7556(3) -0.1456(2) 0.70248(13) 0.0267(5) Uani 1 1 d . . . . .
O52 O 0.5608(3) -0.22420(19) 0.82669(12) 0.0242(4) Uani 1 1 d . . . . .
C61 C 0.6284(14) -0.0072(7) 0.0078(5) 0.051(3) Uani 0.5 1 d D U P A -1
C62 C 0.5218(10) 0.0507(7) 0.0538(5) 0.0327(18) Uani 0.5 1 d D U P A -1
H62 H 0.5591 0.0824 0.0882 0.039 Uiso 0.5 1 calc R U P A -1
C63 C 0.3634(13) 0.0641(9) 0.0516(6) 0.054(3) Uani 0.5 1 d D U P A -1
H63 H 0.2951 0.1046 0.0841 0.064 Uiso 0.5 1 calc R U P A -1
C64 C 0.3036(17) 0.0194(10) 0.0026(7) 0.069(4) Uani 0.5 1 d D U P A -1
H64 H 0.1953 0.0277 0.0007 0.083 Uiso 0.5 1 calc R U P A -1
C65 C 0.4121(16) -0.0394(11) -0.0446(8) 0.079(4) Uani 0.5 1 d D U P A -1
H65 H 0.3741 -0.0704 -0.0791 0.094 Uiso 0.5 1 calc R U P A -1
C66 C 0.5706(16) -0.0537(9) -0.0428(6) 0.070(4) Uani 0.5 1 d D U P A -1
H66 H 0.6394 -0.0942 -0.0751 0.084 Uiso 0.5 1 calc R U P A -1
C67 C 0.7958(13) -0.0210(7) 0.0110(6) 0.067(3) Uani 0.5 1 d D U P A -1
H67A H 0.8362 0.0232 -0.0338 0.101 Uiso 0.5 1 calc R U P A -1
H67B H 0.8468 -0.0998 0.0147 0.101 Uiso 0.5 1 calc R U P A -1
H67C H 0.8163 0.0045 0.0544 0.101 Uiso 0.5 1 calc R U P A -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 C1 1.970(3) . ?
Pt1 O52 1.998(2) . ?
Pt1 N1 2.056(3) . ?
Pt1 O51 2.098(2) . ?
C1 C2 1.400(4) . ?
C1 C6 1.404(4) . ?
C2 C3 1.388(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.399(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.400(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.466(4) . ?
C7 N1 1.343(4) . ?
C7 C8 1.408(4) . ?
C8 C9 1.365(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.419(4) . ?
C9 C16 1.513(4) . ?
C10 C15 1.422(4) . ?
C10 C11 1.425(4) . ?
C11 N1 1.384(4) . ?
C11 C12 1.422(4) . ?
C12 C13 1.365(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.418(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.377(4) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 O1 1.231(4) . ?
C16 N2 1.354(4) . ?
C17 N2 1.479(3) . ?
C17 C18 1.514(4) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.398(4) . ?
C18 C27 1.417(4) . ?
C19 C20 1.390(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.397(4) . ?
C20 H20 0.9500 . ?
C21 C26 1.424(4) . ?
C21 C22 1.449(4) . ?
C22 C23 1.342(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.440(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.411(4) . ?
C24 C33 1.416(5) . ?
C25 C30 1.423(4) . ?
C25 C26 1.437(4) . ?
C26 C27 1.426(4) . ?
C27 C28 1.436(4) . ?
C28 C29 1.359(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.436(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.412(4) . ?
C31 C32 1.392(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.376(5) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 N2 1.467(4) . ?
C34 C35 1.540(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.528(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.523(4) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.524(4) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.533(4) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.526(4) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.529(5) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C51 O51 1.265(4) . ?
C51 C52 1.406(4) . ?
C51 C54 1.504(4) . ?
C52 C53 1.393(4) . ?
C52 H52 0.9500 . ?
C53 O52 1.293(4) . ?
C53 C55 1.489(4) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C61 C62 1.389(9) . ?
C61 C66 1.409(11) . ?
C61 C67 1.468(16) . ?
C62 C63 1.386(11) . ?
C62 H62 0.9500 . ?
C63 C64 1.380(11) . ?
C63 H63 0.9500 . ?
C64 C65 1.418(12) . ?
C64 H64 0.9500 . ?
C65 C66 1.385(12) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 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
C1 Pt1 O52 89.44(11) . . ?
C1 Pt1 N1 81.28(12) . . ?
O52 Pt1 N1 170.39(9) . . ?
C1 Pt1 O51 177.52(9) . . ?
O52 Pt1 O51 89.07(9) . . ?
N1 Pt1 O51 100.11(10) . . ?
C2 C1 C6 117.6(3) . . ?
C2 C1 Pt1 127.4(2) . . ?
C6 C1 Pt1 115.0(2) . . ?
C3 C2 C1 120.9(3) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 120.9(3) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 119.3(3) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 119.3(3) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C5 C6 C1 121.9(3) . . ?
C5 C6 C7 124.3(3) . . ?
C1 C6 C7 113.8(3) . . ?
N1 C7 C8 121.7(3) . . ?
N1 C7 C6 116.0(3) . . ?
C8 C7 C6 122.4(3) . . ?
C9 C8 C7 120.9(3) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C8 C9 C10 118.4(3) . . ?
C8 C9 C16 118.5(3) . . ?
C10 C9 C16 122.2(3) . . ?
C9 C10 C15 122.0(3) . . ?
C9 C10 C11 118.5(3) . . ?
C15 C10 C11 119.4(3) . . ?
N1 C11 C12 120.7(3) . . ?
N1 C11 C10 120.9(3) . . ?
C12 C11 C10 118.5(3) . . ?
C13 C12 C11 120.6(3) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C12 C13 C14 121.3(3) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C15 C14 C13 119.4(3) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C14 C15 C10 120.7(3) . . ?
C14 C15 H15 119.6 . . ?
C10 C15 H15 119.6 . . ?
O1 C16 N2 123.5(3) . . ?
O1 C16 C9 117.2(3) . . ?
N2 C16 C9 119.3(3) . . ?
N2 C17 C18 116.5(2) . . ?
N2 C17 H17A 108.2 . . ?
C18 C17 H17A 108.2 . . ?
N2 C17 H17B 108.2 . . ?
C18 C17 H17B 108.2 . . ?
H17A C17 H17B 107.3 . . ?
C19 C18 C27 119.4(3) . . ?
C19 C18 C17 118.1(3) . . ?
C27 C18 C17 122.1(3) . . ?
C20 C19 C18 121.6(3) . . ?
C20 C19 H19 119.2 . . ?
C18 C19 H19 119.2 . . ?
C19 C20 C21 120.8(3) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C20 C21 C26 118.6(3) . . ?
C20 C21 C22 122.5(3) . . ?
C26 C21 C22 118.9(3) . . ?
C23 C22 C21 121.3(3) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C22 C23 C24 121.3(3) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C25 C24 C33 119.1(3) . . ?
C25 C24 C23 119.0(3) . . ?
C33 C24 C23 121.9(3) . . ?
C24 C25 C30 120.1(3) . . ?
C24 C25 C26 120.4(3) . . ?
C30 C25 C26 119.5(3) . . ?
C21 C26 C27 120.8(3) . . ?
C21 C26 C25 119.0(3) . . ?
C27 C26 C25 120.2(3) . . ?
C18 C27 C26 118.8(3) . . ?
C18 C27 C28 122.8(3) . . ?
C26 C27 C28 118.4(3) . . ?
C29 C28 C27 121.6(3) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C28 C29 C30 121.2(3) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 H29 119.4 . . ?
C31 C30 C25 118.9(3) . . ?
C31 C30 C29 122.1(3) . . ?
C25 C30 C29 119.0(3) . . ?
C32 C31 C30 120.4(3) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C33 C32 C31 121.0(3) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C32 C33 C24 120.6(3) . . ?
C32 C33 H33 119.7 . . ?
C24 C33 H33 119.7 . . ?
N2 C34 C35 114.2(2) . . ?
N2 C34 H34A 108.7 . . ?
C35 C34 H34A 108.7 . . ?
N2 C34 H34B 108.7 . . ?
C35 C34 H34B 108.7 . . ?
H34A C34 H34B 107.6 . . ?
C36 C35 C34 113.0(2) . . ?
C36 C35 H35A 109.0 . . ?
C34 C35 H35A 109.0 . . ?
C36 C35 H35B 109.0 . . ?
C34 C35 H35B 109.0 . . ?
H35A C35 H35B 107.8 . . ?
C37 C36 C35 115.6(2) . . ?
C37 C36 H36A 108.4 . . ?
C35 C36 H36A 108.4 . . ?
C37 C36 H36B 108.4 . . ?
C35 C36 H36B 108.4 . . ?
H36A C36 H36B 107.4 . . ?
C36 C37 C38 110.9(2) . . ?
C36 C37 H37A 109.5 . . ?
C38 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C38 C37 H37B 109.5 . . ?
H37A C37 H37B 108.0 . . ?
C37 C38 C39 114.3(3) . . ?
C37 C38 H38A 108.7 . . ?
C39 C38 H38A 108.7 . . ?
C37 C38 H38B 108.7 . . ?
C39 C38 H38B 108.7 . . ?
H38A C38 H38B 107.6 . . ?
C40 C39 C38 112.6(3) . . ?
C40 C39 H39A 109.1 . . ?
C38 C39 H39A 109.1 . . ?
C40 C39 H39B 109.1 . . ?
C38 C39 H39B 109.1 . . ?
H39A C39 H39B 107.8 . . ?
C39 C40 C41 113.0(3) . . ?
C39 C40 H40A 109.0 . . ?
C41 C40 H40A 109.0 . . ?
C39 C40 H40B 109.0 . . ?
C41 C40 H40B 109.0 . . ?
H40A C40 H40B 107.8 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C7 N1 C11 118.7(3) . . ?
C7 N1 Pt1 113.13(19) . . ?
C11 N1 Pt1 127.9(2) . . ?
C16 N2 C34 125.1(2) . . ?
C16 N2 C17 117.5(2) . . ?
C34 N2 C17 116.3(2) . . ?
O51 C51 C52 125.3(3) . . ?
O51 C51 C54 115.0(3) . . ?
C52 C51 C54 119.6(3) . . ?
C53 C52 C51 125.8(3) . . ?
C53 C52 H52 117.1 . . ?
C51 C52 H52 117.1 . . ?
O52 C53 C52 125.9(3) . . ?
O52 C53 C55 113.2(3) . . ?
C52 C53 C55 120.8(3) . . ?
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 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C51 O51 Pt1 125.9(2) . . ?
C53 O52 Pt1 127.5(2) . . ?
C62 C61 C66 117.7(9) . . ?
C62 C61 C67 122.0(8) . . ?
C66 C61 C67 120.2(9) . . ?
C63 C62 C61 122.7(9) . . ?
C63 C62 H62 118.6 . . ?
C61 C62 H62 118.6 . . ?
C64 C63 C62 120.8(10) . . ?
C64 C63 H63 119.6 . . ?
C62 C63 H63 119.6 . . ?
C63 C64 C65 116.6(11) . . ?
C63 C64 H64 121.7 . . ?
C65 C64 H64 121.7 . . ?
C66 C65 C64 123.1(11) . . ?
C66 C65 H65 118.4 . . ?
C64 C65 H65 118.4 . . ?
C65 C66 C61 119.0(10) . . ?
C65 C66 H66 120.5 . . ?
C61 C66 H66 120.5 . . ?
C61 C67 H67A 109.5 . . ?
C61 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C61 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -0.6(5) . . . . ?
Pt1 C1 C2 C3 177.8(3) . . . . ?
C1 C2 C3 C4 -0.1(5) . . . . ?
C2 C3 C4 C5 0.5(5) . . . . ?
C3 C4 C5 C6 -0.1(5) . . . . ?
C4 C5 C6 C1 -0.7(5) . . . . ?
C4 C5 C6 C7 178.5(3) . . . . ?
C2 C1 C6 C5 1.0(5) . . . . ?
Pt1 C1 C6 C5 -177.6(3) . . . . ?
C2 C1 C6 C7 -178.2(3) . . . . ?
Pt1 C1 C6 C7 3.1(4) . . . . ?
C5 C6 C7 N1 -175.0(3) . . . . ?
C1 C6 C7 N1 4.2(4) . . . . ?
C5 C6 C7 C8 4.7(5) . . . . ?
C1 C6 C7 C8 -176.1(3) . . . . ?
N1 C7 C8 C9 -5.4(5) . . . . ?
C6 C7 C8 C9 174.9(3) . . . . ?
C7 C8 C9 C10 7.7(4) . . . . ?
C7 C8 C9 C16 177.0(3) . . . . ?
C8 C9 C10 C15 174.7(3) . . . . ?
C16 C9 C10 C15 5.8(5) . . . . ?
C8 C9 C10 C11 -1.7(4) . . . . ?
C16 C9 C10 C11 -170.6(3) . . . . ?
C9 C10 C11 N1 -7.0(4) . . . . ?
C15 C10 C11 N1 176.5(3) . . . . ?
C9 C10 C11 C12 172.1(3) . . . . ?
C15 C10 C11 C12 -4.4(4) . . . . ?
N1 C11 C12 C13 -177.5(3) . . . . ?
C10 C11 C12 C13 3.4(4) . . . . ?
C11 C12 C13 C14 -0.4(5) . . . . ?
C12 C13 C14 C15 -1.6(5) . . . . ?
C13 C14 C15 C10 0.6(5) . . . . ?
C9 C10 C15 C14 -173.9(3) . . . . ?
C11 C10 C15 C14 2.5(5) . . . . ?
C8 C9 C16 O1 -70.2(4) . . . . ?
C10 C9 C16 O1 98.6(4) . . . . ?
C8 C9 C16 N2 110.3(3) . . . . ?
C10 C9 C16 N2 -80.9(4) . . . . ?
N2 C17 C18 C19 -117.6(3) . . . . ?
N2 C17 C18 C27 69.2(4) . . . . ?
C27 C18 C19 C20 1.5(4) . . . . ?
C17 C18 C19 C20 -171.9(3) . . . . ?
C18 C19 C20 C21 -1.3(5) . . . . ?
C19 C20 C21 C26 -0.3(4) . . . . ?
C19 C20 C21 C22 179.4(3) . . . . ?
C20 C21 C22 C23 179.3(3) . . . . ?
C26 C21 C22 C23 -1.0(5) . . . . ?
C21 C22 C23 C24 0.0(5) . . . . ?
C22 C23 C24 C25 0.1(5) . . . . ?
C22 C23 C24 C33 -178.8(3) . . . . ?
C33 C24 C25 C30 -1.2(5) . . . . ?
C23 C24 C25 C30 179.9(3) . . . . ?
C33 C24 C25 C26 179.7(3) . . . . ?
C23 C24 C25 C26 0.8(5) . . . . ?
C20 C21 C26 C27 1.7(4) . . . . ?
C22 C21 C26 C27 -178.0(3) . . . . ?
C20 C21 C26 C25 -178.5(3) . . . . ?
C22 C21 C26 C25 1.8(4) . . . . ?
C24 C25 C26 C21 -1.7(4) . . . . ?
C30 C25 C26 C21 179.2(3) . . . . ?
C24 C25 C26 C27 178.1(3) . . . . ?
C30 C25 C26 C27 -1.0(4) . . . . ?
C19 C18 C27 C26 -0.1(4) . . . . ?
C17 C18 C27 C26 173.0(3) . . . . ?
C19 C18 C27 C28 -180.0(3) . . . . ?
C17 C18 C27 C28 -6.9(4) . . . . ?
C21 C26 C27 C18 -1.4(4) . . . . ?
C25 C26 C27 C18 178.7(3) . . . . ?
C21 C26 C27 C28 178.4(3) . . . . ?
C25 C26 C27 C28 -1.4(4) . . . . ?
C18 C27 C28 C29 -177.4(3) . . . . ?
C26 C27 C28 C29 2.8(4) . . . . ?
C27 C28 C29 C30 -1.7(5) . . . . ?
C24 C25 C30 C31 1.2(4) . . . . ?
C26 C25 C30 C31 -179.7(3) . . . . ?
C24 C25 C30 C29 -177.0(3) . . . . ?
C26 C25 C30 C29 2.1(4) . . . . ?
C28 C29 C30 C31 -178.9(3) . . . . ?
C28 C29 C30 C25 -0.8(5) . . . . ?
C25 C30 C31 C32 0.0(5) . . . . ?
C29 C30 C31 C32 178.1(3) . . . . ?
C30 C31 C32 C33 -1.1(5) . . . . ?
C31 C32 C33 C24 1.1(5) . . . . ?
C25 C24 C33 C32 0.1(5) . . . . ?
C23 C24 C33 C32 179.0(3) . . . . ?
N2 C34 C35 C36 70.0(3) . . . . ?
C34 C35 C36 C37 -179.5(2) . . . . ?
C35 C36 C37 C38 -178.6(2) . . . . ?
C36 C37 C38 C39 179.2(2) . . . . ?
C37 C38 C39 C40 -178.4(3) . . . . ?
C38 C39 C40 C41 -179.8(3) . . . . ?
C8 C7 N1 C11 -3.5(4) . . . . ?
C6 C7 N1 C11 176.3(3) . . . . ?
C8 C7 N1 Pt1 171.1(2) . . . . ?
C6 C7 N1 Pt1 -9.1(3) . . . . ?
C12 C11 N1 C7 -169.5(3) . . . . ?
C10 C11 N1 C7 9.5(4) . . . . ?
C12 C11 N1 Pt1 16.8(4) . . . . ?
C10 C11 N1 Pt1 -164.2(2) . . . . ?
O1 C16 N2 C34 171.0(3) . . . . ?
C9 C16 N2 C34 -9.6(4) . . . . ?
O1 C16 N2 C17 3.3(4) . . . . ?
C9 C16 N2 C17 -177.2(2) . . . . ?
C35 C34 N2 C16 -95.8(3) . . . . ?
C35 C34 N2 C17 72.0(3) . . . . ?
C18 C17 N2 C16 -127.6(3) . . . . ?
C18 C17 N2 C34 63.6(3) . . . . ?
O51 C51 C52 C53 0.7(6) . . . . ?
C54 C51 C52 C53 179.8(3) . . . . ?
C51 C52 C53 O52 2.7(5) . . . . ?
C51 C52 C53 C55 -177.2(3) . . . . ?
C52 C51 O51 Pt1 -7.0(5) . . . . ?
C54 C51 O51 Pt1 173.9(2) . . . . ?
C52 C53 O52 Pt1 1.0(5) . . . . ?
C55 C53 O52 Pt1 -179.0(2) . . . . ?
C66 C61 C62 C63 -0.1(3) . . . . ?
C67 C61 C62 C63 -179.8(3) . . . . ?
C61 C62 C63 C64 0.1(3) . . . . ?
C62 C63 C64 C65 -0.4(6) . . . . ?
C63 C64 C65 C66 0.6(8) . . . . ?
C64 C65 C66 C61 -0.5(8) . . . . ?
C62 C61 C66 C65 0.3(6) . . . . ?
C67 C61 C66 C65 -180.0(5) . . . . ?

_refine_diff_density_max         1.697
_refine_diff_density_min         -1.339
_refine_diff_density_rms         0.126

