# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_compound_20
_database_code_depnum_ccdc_archive 'CCDC 1026181'
_audit_update_record             
;
2014-09-25 deposited with the CCDC.
2015-04-08 downloaded from the CCDC.
;

_vrf_PLAT029_compound_20         
;
PROBLEM:  _diffrn_measured_fraction_theta_full Low .......      0.896 Note          
RESPONSE: 
           The available crystals of the compound systematically exhibited
           poor crystallinity, which was ultimately reflected in a very
           weak diffraction intensity, especially at higher diffraction
           angles, and with rather broad reflections.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H35 N3 O2 Pt'
_chemical_formula_sum            'C36 H35 N3 O2 Pt'
_chemical_formula_weight         736.76

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   15.575(2)
_cell_length_b                   11.872(4)
_cell_length_c                   21.594(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 127.70(2)
_cell_angle_gamma                90.00
_cell_volume                     3159.2(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    198(2)
_cell_measurement_reflns_used    683
_cell_measurement_theta_min      4.076
_cell_measurement_theta_max      22.577

_exptl_crystal_description       fragment
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1464
_exptl_absorpt_coefficient_mu    4.477
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1745
_exptl_absorpt_correction_T_max  0.4007
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      198(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       φ
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19739
_diffrn_reflns_av_R_equivalents  0.0797
_diffrn_reflns_av_sigmaI/netI    0.0719
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.09
_diffrn_reflns_theta_max         23.26
_reflns_number_total             4065
_reflns_number_gt                2877
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Nonius BV, 2001)'
_computing_cell_refinement       'Dirax/lsq (Duisenberg, 1992)'
_computing_data_reduction        'EvalCCD (Duisenberg et al., 2003)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 2012)'
_computing_publication_material  'enCIFer (Allen et al., 2004)'

_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.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0524P)²+11.7620P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4065
_refine_ls_number_parameters     385
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0496
_refine_ls_wR_factor_ref         0.1357
_refine_ls_wR_factor_gt          0.1203
_refine_ls_goodness_of_fit_ref   1.238
_refine_ls_restrained_S_all      1.238
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.69527(4) 0.51083(3) 0.34626(3) 0.0344(2) Uani 1 1 d . . .
C11 C 0.6658(9) 0.5901(9) 0.4139(7) 0.032(3) Uani 1 1 d . . .
O1 O 0.7999(7) 0.6329(6) 0.3628(5) 0.042(2) Uani 1 1 d . . .
C19 C 0.9266(10) 0.7276(9) 0.3546(8) 0.038(3) Uani 1 1 d . . .
N1 N 0.5413(9) 0.4449(8) 0.3665(7) 0.048(3) Uani 1 1 d . . .
C15 C 0.5442(11) 0.5918(12) 0.4504(9) 0.055(4) Uani 1 1 d . . .
H15 H 0.4856 0.5592 0.4469 0.066 Uiso 1 1 calc R . .
C16 C 0.7890(10) 0.4441(10) 0.2649(8) 0.042(3) Uani 1 1 d . . .
O2 O 0.7207(7) 0.4188(6) 0.2777(5) 0.046(2) Uani 1 1 d . . .
C18 C 0.8538(10) 0.6286(9) 0.3351(7) 0.037(3) Uani 1 1 d . . .
C29 C 0.8848(11) 0.2871(10) 0.2525(9) 0.046(3) Uani 1 1 d . . .
C24 C 1.0170(11) 0.7412(10) 0.4341(9) 0.049(3) Uani 1 1 d . . .
C20 C 0.9067(10) 0.8031(9) 0.2994(8) 0.041(3) Uani 1 1 d . . .
C22 C 1.0641(12) 0.9079(10) 0.3954(9) 0.050(4) Uani 1 1 d . . .
N2 N 0.5335(9) 0.3159(8) 0.2961(7) 0.051(3) Uani 1 1 d . . .
C1 C 0.5860(9) 0.4121(9) 0.3330(8) 0.040(3) Uani 1 1 d . . .
C2 C 0.4582(12) 0.3000(12) 0.3096(10) 0.062(4) Uani 1 1 d . . .
H2 H 0.4088 0.2386 0.2885 0.074 Uiso 1 1 calc R . .
C31 C 0.7973(14) 0.1868(12) 0.1302(10) 0.063(5) Uani 1 1 d . . .
C14 C 0.5963(13) 0.6877(12) 0.4945(10) 0.061(4) Uani 1 1 d . . .
H14 H 0.5738 0.7215 0.5223 0.074 Uiso 1 1 calc R . .
C9 C 0.6050(13) 0.0660(13) 0.3303(11) 0.075(5) Uani 1 1 d . . .
H9 H 0.5463 0.0752 0.3324 0.089 Uiso 1 1 calc R . .
C13 C 0.6792(12) 0.7338(11) 0.4984(9) 0.058(4) Uani 1 1 d . . .
H13 H 0.7147 0.7988 0.5298 0.069 Uiso 1 1 calc R . .
C21 C 0.9757(11) 0.8931(10) 0.3203(9) 0.048(4) Uani 1 1 d . . .
H21 H 0.9608 0.9452 0.2814 0.058 Uiso 1 1 calc R . .
C3 C 0.5488(12) 0.2433(11) 0.2474(9) 0.058(4) Uani 1 1 d . . .
H3A H 0.5772 0.2901 0.2256 0.069 Uiso 1 1 calc R . .
H3B H 0.4773 0.2133 0.2029 0.069 Uiso 1 1 calc R . .
C32 C 0.7119(13) 0.2599(13) 0.0950(10) 0.068(5) Uani 1 1 d . . .
H32 H 0.6537 0.2527 0.0407 0.081 Uiso 1 1 calc R . .
C30 C 0.8851(11) 0.2004(11) 0.2102(9) 0.050(4) Uani 1 1 d . . .
H30 H 0.9447 0.1497 0.2349 0.060 Uiso 1 1 calc R . .
C25 C 0.8073(12) 0.7938(13) 0.2133(10) 0.074(5) Uani 1 1 d . . .
H25A H 0.8176 0.7312 0.1888 0.110 Uiso 1 1 calc R . .
H25B H 0.7983 0.8641 0.1861 0.110 Uiso 1 1 calc R . .
H25C H 0.7425 0.7799 0.2098 0.110 Uiso 1 1 calc R . .
C34 C 0.9813(13) 0.2961(14) 0.3375(10) 0.074(5) Uani 1 1 d . . .
H34A H 1.0424 0.2541 0.3468 0.111 Uiso 1 1 calc R . .
H34B H 0.9627 0.2645 0.3700 0.111 Uiso 1 1 calc R . .
H34C H 1.0015 0.3754 0.3512 0.111 Uiso 1 1 calc R . .
C4 C 0.6268(12) 0.1439(10) 0.2926(9) 0.054(4) Uani 1 1 d . . .
C27 C 1.1427(14) 1.0033(10) 0.4180(12) 0.076(5) Uani 1 1 d . . .
H27A H 1.1214 1.0432 0.3708 0.115 Uiso 1 1 calc R . .
H27B H 1.2161 0.9728 0.4453 0.115 Uiso 1 1 calc R . .
H27C H 1.1416 1.0556 0.4526 0.115 Uiso 1 1 calc R . .
C10 C 0.5809(11) 0.5456(11) 0.4116(8) 0.044(3) Uani 1 1 d . . .
C17 C 0.8508(11) 0.5424(11) 0.2902(9) 0.052(4) Uani 1 1 d . . .
H17 H 0.8962 0.5515 0.2751 0.062 Uiso 1 1 calc R . .
C33 C 0.7100(13) 0.3481(12) 0.1401(10) 0.062(4) Uani 1 1 d . . .
N3 N 0.4613(10) 0.3757(10) 0.3530(8) 0.061(3) Uani 1 1 d . . .
C36 C 0.7988(16) 0.0890(13) 0.0866(12) 0.098(7) Uani 1 1 d . . .
H36A H 0.7651 0.1114 0.0325 0.146 Uiso 1 1 calc R . .
H36B H 0.7583 0.0258 0.0866 0.146 Uiso 1 1 calc R . .
H36C H 0.8740 0.0659 0.1122 0.146 Uiso 1 1 calc R . .
C26 C 1.0455(14) 0.6602(13) 0.4978(9) 0.069(5) Uani 1 1 d . . .
H26A H 0.9950 0.6701 0.5101 0.104 Uiso 1 1 calc R . .
H26B H 1.1197 0.6749 0.5447 0.104 Uiso 1 1 calc R . .
H26C H 1.0405 0.5828 0.4800 0.104 Uiso 1 1 calc R . .
C12 C 0.7129(11) 0.6882(10) 0.4578(8) 0.046(3) Uani 1 1 d . . .
H12 H 0.7690 0.7242 0.4598 0.055 Uiso 1 1 calc R . .
C28 C 0.7958(11) 0.3594(9) 0.2163(8) 0.042(3) Uani 1 1 d . . .
C23 C 1.0842(11) 0.8338(11) 0.4518(8) 0.048(3) Uani 1 1 d . . .
H23 H 1.1458 0.8458 0.5046 0.058 Uiso 1 1 calc R . .
C8 C 0.6750(19) -0.0256(14) 0.3642(11) 0.090(6) Uani 1 1 d . . .
H8 H 0.6610 -0.0833 0.3875 0.108 Uiso 1 1 calc R . .
C7 C 0.764(2) -0.0356(17) 0.3653(14) 0.107(8) Uani 1 1 d . . .
H7 H 0.8118 -0.0976 0.3907 0.129 Uiso 1 1 calc R . .
C5 C 0.7151(15) 0.1309(13) 0.2955(11) 0.077(5) Uani 1 1 d . . .
H5 H 0.7309 0.1863 0.2719 0.092 Uiso 1 1 calc R . .
C35 C 0.6140(14) 0.4257(15) 0.0970(10) 0.090(6) Uani 1 1 d . . .
H35A H 0.5749 0.4197 0.1191 0.135 Uiso 1 1 calc R . .
H35B H 0.5655 0.4047 0.0415 0.135 Uiso 1 1 calc R . .
H35C H 0.6389 0.5034 0.1021 0.135 Uiso 1 1 calc R . .
C6 C 0.781(2) 0.0428(16) 0.3303(16) 0.113(9) Uani 1 1 d . . .
H6 H 0.8414 0.0359 0.3301 0.136 Uiso 1 1 calc R . .


_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 1.938(12) . ?
Pt1 C11 2.012(11) . ?
Pt1 O1 2.042(8) . ?
Pt1 O2 2.064(8) . ?
C11 C12 1.394(17) . ?
C11 C10 1.397(17) . ?
O1 C18 1.297(14) . ?
C19 C20 1.366(17) . ?
C19 C24 1.415(18) . ?
C19 C18 1.503(16) . ?
N1 C1 1.334(16) . ?
N1 N3 1.367(14) . ?
N1 C10 1.422(17) . ?
C15 C14 1.38(2) . ?
C15 C10 1.385(19) . ?
C15 H15 0.9500 . ?
C16 O2 1.288(15) . ?
C16 C17 1.394(18) . ?
C16 C28 1.503(17) . ?
C18 C17 1.390(18) . ?
C29 C30 1.379(17) . ?
C29 C28 1.394(18) . ?
C29 C34 1.51(2) . ?
C24 C23 1.400(17) . ?
C24 C26 1.505(19) . ?
C20 C21 1.380(17) . ?
C20 C25 1.53(2) . ?
C22 C21 1.351(19) . ?
C22 C23 1.375(19) . ?
C22 C27 1.513(18) . ?
N2 C1 1.346(15) . ?
N2 C2 1.383(17) . ?
N2 C3 1.488(18) . ?
C2 N3 1.278(18) . ?
C2 H2 0.9500 . ?
C31 C32 1.36(2) . ?
C31 C30 1.41(2) . ?
C31 C36 1.505(19) . ?
C14 C13 1.357(18) . ?
C14 H14 0.9500 . ?
C9 C8 1.39(3) . ?
C9 C4 1.40(2) . ?
C9 H9 0.9500 . ?
C13 C12 1.378(19) . ?
C13 H13 0.9500 . ?
C21 H21 0.9500 . ?
C3 C4 1.54(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C32 C33 1.44(2) . ?
C32 H32 0.9500 . ?
C30 H30 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C4 C5 1.35(2) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C17 H17 0.9500 . ?
C33 C28 1.35(2) . ?
C33 C35 1.50(2) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C12 H12 0.9500 . ?
C23 H23 0.9500 . ?
C8 C7 1.37(3) . ?
C8 H8 0.9500 . ?
C7 C6 1.33(3) . ?
C7 H7 0.9500 . ?
C5 C6 1.33(2) . ?
C5 H5 0.9500 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C6 H6 0.9500 . ?

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 C11 79.7(5) . . ?
C1 Pt1 O1 171.7(4) . . ?
C11 Pt1 O1 93.0(4) . . ?
C1 Pt1 O2 96.3(4) . . ?
C11 Pt1 O2 175.7(4) . . ?
O1 Pt1 O2 91.1(3) . . ?
C12 C11 C10 115.6(11) . . ?
C12 C11 Pt1 128.8(9) . . ?
C10 C11 Pt1 115.4(9) . . ?
C18 O1 Pt1 124.4(7) . . ?
C20 C19 C24 120.7(11) . . ?
C20 C19 C18 122.6(12) . . ?
C24 C19 C18 116.7(11) . . ?
C1 N1 N3 114.8(10) . . ?
C1 N1 C10 117.7(10) . . ?
N3 N1 C10 127.5(11) . . ?
C14 C15 C10 117.2(13) . . ?
C14 C15 H15 121.4 . . ?
C10 C15 H15 121.4 . . ?
O2 C16 C17 125.0(11) . . ?
O2 C16 C28 114.4(11) . . ?
C17 C16 C28 120.6(12) . . ?
C16 O2 Pt1 125.2(7) . . ?
O1 C18 C17 126.5(11) . . ?
O1 C18 C19 115.5(10) . . ?
C17 C18 C19 118.0(11) . . ?
C30 C29 C28 119.6(13) . . ?
C30 C29 C34 117.1(13) . . ?
C28 C29 C34 123.3(12) . . ?
C23 C24 C19 116.4(12) . . ?
C23 C24 C26 119.9(13) . . ?
C19 C24 C26 123.7(11) . . ?
C19 C20 C21 120.4(13) . . ?
C19 C20 C25 122.2(11) . . ?
C21 C20 C25 117.4(12) . . ?
C21 C22 C23 119.5(12) . . ?
C21 C22 C27 121.0(14) . . ?
C23 C22 C27 119.5(14) . . ?
C1 N2 C2 106.2(12) . . ?
C1 N2 C3 127.4(12) . . ?
C2 N2 C3 126.4(11) . . ?
N1 C1 N2 103.8(10) . . ?
N1 C1 Pt1 116.5(8) . . ?
N2 C1 Pt1 139.7(11) . . ?
N3 C2 N2 113.7(12) . . ?
N3 C2 H2 123.2 . . ?
N2 C2 H2 123.2 . . ?
C32 C31 C30 119.6(13) . . ?
C32 C31 C36 121.7(17) . . ?
C30 C31 C36 118.7(16) . . ?
C13 C14 C15 120.7(13) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C8 C9 C4 115.6(17) . . ?
C8 C9 H9 122.2 . . ?
C4 C9 H9 122.2 . . ?
C14 C13 C12 121.3(14) . . ?
C14 C13 H13 119.3 . . ?
C12 C13 H13 119.3 . . ?
C22 C21 C20 120.8(13) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
N2 C3 C4 113.6(13) . . ?
N2 C3 H3A 108.8 . . ?
C4 C3 H3A 108.8 . . ?
N2 C3 H3B 108.8 . . ?
C4 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
C31 C32 C33 120.0(15) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C29 C30 C31 120.2(14) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C5 C4 C9 120.0(15) . . ?
C5 C4 C3 120.3(15) . . ?
C9 C4 C3 119.7(14) . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C15 C10 C11 124.2(13) . . ?
C15 C10 N1 125.5(12) . . ?
C11 C10 N1 110.3(11) . . ?
C18 C17 C16 127.7(12) . . ?
C18 C17 H17 116.1 . . ?
C16 C17 H17 116.1 . . ?
C28 C33 C32 118.8(14) . . ?
C28 C33 C35 124.3(14) . . ?
C32 C33 C35 116.8(15) . . ?
C2 N3 N1 101.5(11) . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C13 C12 C11 121.0(12) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C33 C28 C29 121.7(12) . . ?
C33 C28 C16 118.5(12) . . ?
C29 C28 C16 119.4(12) . . ?
C22 C23 C24 122.2(13) . . ?
C22 C23 H23 118.9 . . ?
C24 C23 H23 118.9 . . ?
C7 C8 C9 122.2(19) . . ?
C7 C8 H8 118.9 . . ?
C9 C8 H8 118.9 . . ?
C6 C7 C8 118.8(19) . . ?
C6 C7 H7 120.6 . . ?
C8 C7 H7 120.6 . . ?
C6 C5 C4 121.8(18) . . ?
C6 C5 H5 119.1 . . ?
C4 C5 H5 119.1 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C7 C6 C5 121(2) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Pt1 C11 C12 179.6(12) . . . . ?
O1 Pt1 C11 C12 -4.3(11) . . . . ?
C1 Pt1 C11 C10 -5.9(9) . . . . ?
O1 Pt1 C11 C10 170.2(9) . . . . ?
C11 Pt1 O1 C18 176.8(10) . . . . ?
O2 Pt1 O1 C18 -1.9(10) . . . . ?
C17 C16 O2 Pt1 -5.2(19) . . . . ?
C28 C16 O2 Pt1 176.8(8) . . . . ?
C1 Pt1 O2 C16 -179.2(10) . . . . ?
O1 Pt1 O2 C16 4.5(10) . . . . ?
Pt1 O1 C18 C17 -0.2(18) . . . . ?
Pt1 O1 C18 C19 -179.9(8) . . . . ?
C20 C19 C18 O1 -111.6(14) . . . . ?
C24 C19 C18 O1 67.1(15) . . . . ?
C20 C19 C18 C17 68.7(16) . . . . ?
C24 C19 C18 C17 -112.6(14) . . . . ?
C20 C19 C24 C23 -1.1(18) . . . . ?
C18 C19 C24 C23 -179.8(11) . . . . ?
C20 C19 C24 C26 -178.6(13) . . . . ?
C18 C19 C24 C26 2.7(19) . . . . ?
C24 C19 C20 C21 1.0(19) . . . . ?
C18 C19 C20 C21 179.7(11) . . . . ?
C24 C19 C20 C25 -177.7(12) . . . . ?
C18 C19 C20 C25 1.0(19) . . . . ?
N3 N1 C1 N2 -0.6(15) . . . . ?
C10 N1 C1 N2 179.3(11) . . . . ?
N3 N1 C1 Pt1 177.3(9) . . . . ?
C10 N1 C1 Pt1 -2.9(16) . . . . ?
C2 N2 C1 N1 1.3(15) . . . . ?
C3 N2 C1 N1 178.7(12) . . . . ?
C2 N2 C1 Pt1 -175.7(13) . . . . ?
C3 N2 C1 Pt1 2(2) . . . . ?
C11 Pt1 C1 N1 4.7(10) . . . . ?
O2 Pt1 C1 N1 -176.8(10) . . . . ?
C11 Pt1 C1 N2 -178.5(16) . . . . ?
O2 Pt1 C1 N2 0.0(15) . . . . ?
C1 N2 C2 N3 -1.8(18) . . . . ?
C3 N2 C2 N3 -179.2(14) . . . . ?
C10 C15 C14 C13 1(2) . . . . ?
C15 C14 C13 C12 1(2) . . . . ?
C23 C22 C21 C20 -1(2) . . . . ?
C27 C22 C21 C20 177.3(13) . . . . ?
C19 C20 C21 C22 0(2) . . . . ?
C25 C20 C21 C22 179.0(13) . . . . ?
C1 N2 C3 C4 95.8(16) . . . . ?
C2 N2 C3 C4 -87.4(17) . . . . ?
C30 C31 C32 C33 -2(2) . . . . ?
C36 C31 C32 C33 175.7(14) . . . . ?
C28 C29 C30 C31 2(2) . . . . ?
C34 C29 C30 C31 180.0(13) . . . . ?
C32 C31 C30 C29 0(2) . . . . ?
C36 C31 C30 C29 -178.0(13) . . . . ?
C8 C9 C4 C5 -4(2) . . . . ?
C8 C9 C4 C3 175.1(14) . . . . ?
N2 C3 C4 C5 -123.1(15) . . . . ?
N2 C3 C4 C9 57.5(16) . . . . ?
C14 C15 C10 C11 -1(2) . . . . ?
C14 C15 C10 N1 177.0(13) . . . . ?
C12 C11 C10 C15 -1.0(18) . . . . ?
Pt1 C11 C10 C15 -176.2(10) . . . . ?
C12 C11 C10 N1 -178.9(11) . . . . ?
Pt1 C11 C10 N1 5.9(13) . . . . ?
C1 N1 C10 C15 -180.0(13) . . . . ?
N3 N1 C10 C15 0(2) . . . . ?
C1 N1 C10 C11 -2.1(16) . . . . ?
N3 N1 C10 C11 177.8(12) . . . . ?
O1 C18 C17 C16 1(2) . . . . ?
C19 C18 C17 C16 -179.4(13) . . . . ?
O2 C16 C17 C18 2(2) . . . . ?
C28 C16 C17 C18 179.9(14) . . . . ?
C31 C32 C33 C28 3(2) . . . . ?
C31 C32 C33 C35 179.3(15) . . . . ?
N2 C2 N3 N1 1.3(17) . . . . ?
C1 N1 N3 C2 -0.4(17) . . . . ?
C10 N1 N3 C2 179.7(14) . . . . ?
C14 C13 C12 C11 -3(2) . . . . ?
C10 C11 C12 C13 2.6(18) . . . . ?
Pt1 C11 C12 C13 177.1(10) . . . . ?
C32 C33 C28 C29 -1(2) . . . . ?
C35 C33 C28 C29 -177.4(15) . . . . ?
C32 C33 C28 C16 -174.4(13) . . . . ?
C35 C33 C28 C16 9(2) . . . . ?
C30 C29 C28 C33 -1(2) . . . . ?
C34 C29 C28 C33 -179.2(14) . . . . ?
C30 C29 C28 C16 172.2(12) . . . . ?
C34 C29 C28 C16 -6.0(19) . . . . ?
O2 C16 C28 C33 68.7(16) . . . . ?
C17 C16 C28 C33 -109.3(15) . . . . ?
O2 C16 C28 C29 -104.7(13) . . . . ?
C17 C16 C28 C29 77.3(16) . . . . ?
C21 C22 C23 C24 1(2) . . . . ?
C27 C22 C23 C24 -177.4(13) . . . . ?
C19 C24 C23 C22 0(2) . . . . ?
C26 C24 C23 C22 177.5(14) . . . . ?
C4 C9 C8 C7 4(3) . . . . ?
C9 C8 C7 C6 -2(3) . . . . ?
C9 C4 C5 C6 3(3) . . . . ?
C3 C4 C5 C6 -176.3(18) . . . . ?
C8 C7 C6 C5 1(4) . . . . ?
C4 C5 C6 C7 -1(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.896
_diffrn_reflns_theta_full        23.26
_diffrn_measured_fraction_theta_full 0.896
_refine_diff_density_max         0.838
_refine_diff_density_min         -1.236
_refine_diff_density_rms         0.192





####################################################################### 
# 
# 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_compound_4
_database_code_depnum_ccdc_archive 'CCDC 1026238'
_audit_update_record             
;
2014-09-25 deposited with the CCDC.
2015-04-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H19 N3 O2 Pt'
_chemical_formula_sum            'C20 H19 N3 O2 Pt'
_chemical_formula_weight         528.47

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

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   11.7630(5)
_cell_length_b                   11.8750(17)
_cell_length_c                   13.1410(19)
_cell_angle_alpha                90
_cell_angle_beta                 93.774(8)
_cell_angle_gamma                90
_cell_volume                     1831.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    198(2)
_cell_measurement_reflns_used    199
_cell_measurement_theta_min      4.086
_cell_measurement_theta_max      21.008

_exptl_crystal_description       fragment
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.916
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1016
_exptl_absorpt_coefficient_mu    7.680
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1730
_exptl_absorpt_correction_T_max  0.4618
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      198(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       φ
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19834
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0378
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.11
_diffrn_reflns_theta_max         23.26
_reflns_number_total             2626
_reflns_number_gt                2067
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Nonius BV, 2001)'
_computing_cell_refinement       'Dirax/lsq (Duisenberg, 1992)'
_computing_data_reduction        'EvalCCD (Duisenberg et al., 2003)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 2012)'
_computing_publication_material  'enCIFer (Allen et al., 2004)'

_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.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0059P)²+2.6338P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2626
_refine_ls_number_parameters     237
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0246
_refine_ls_wR_factor_ref         0.0361
_refine_ls_wR_factor_gt          0.0329
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.511858(16) 0.104367(18) -0.083053(15) 0.02354(7) Uani 1 1 d . . .
N1 N 0.5705(3) -0.0809(3) -0.2032(3) 0.0268(11) Uani 1 1 d . . .
C1 C 0.6147(4) -0.0066(4) -0.1325(4) 0.0252(12) Uani 1 1 d . . .
O2 O 0.6312(2) 0.1932(3) 0.0110(2) 0.0282(8) Uani 1 1 d . . .
N2 N 0.7232(3) -0.0401(3) -0.1185(3) 0.0274(10) Uani 1 1 d . . .
O1 O 0.3871(2) 0.2145(3) -0.0469(2) 0.0293(8) Uani 1 1 d . . .
C14 C 0.2742(5) -0.1230(5) -0.3115(4) 0.0371(15) Uani 1 1 d . . .
H14 H 0.2297 -0.1711 -0.3561 0.045 Uiso 1 1 calc R . .
C20 C 0.2964(4) 0.3710(4) 0.0208(4) 0.0441(16) Uani 1 1 d . . .
H20A H 0.2582 0.3839 -0.0467 0.066 Uiso 1 1 calc R . .
H20B H 0.3180 0.4435 0.0520 0.066 Uiso 1 1 calc R . .
H20C H 0.2446 0.3314 0.0640 0.066 Uiso 1 1 calc R . .
C8 C 0.9919(5) 0.1739(6) -0.2192(5) 0.0534(18) Uani 1 1 d . . .
H8 H 1.0126 0.1734 -0.2878 0.064 Uiso 1 1 calc R . .
C4 C 0.8879(4) 0.0929(5) -0.0865(4) 0.0321(13) Uani 1 1 d . . .
C13 C 0.2227(4) -0.0348(4) -0.2628(4) 0.0318(13) Uani 1 1 d . . .
H13 H 0.1429 -0.0230 -0.2736 0.038 Uiso 1 1 calc R . .
C15 C 0.3898(4) -0.1413(4) -0.2954(4) 0.0301(14) Uani 1 1 d . . .
H15 H 0.4264 -0.2010 -0.3285 0.036 Uiso 1 1 calc R . .
C18 C 0.5034(4) 0.3347(4) 0.0619(4) 0.0362(15) Uani 1 1 d . . .
H18 H 0.5003 0.4000 0.1033 0.043 Uiso 1 1 calc R . .
C10 C 0.4500(4) -0.0696(4) -0.2298(4) 0.0239(13) Uani 1 1 d . . .
N3 N 0.7500(4) -0.1322(4) -0.1774(3) 0.0383(13) Uani 1 1 d . . .
C11 C 0.4042(4) 0.0202(4) -0.1777(3) 0.0227(12) Uani 1 1 d . . .
C16 C 0.7103(4) 0.3354(5) 0.1174(4) 0.0437(16) Uani 1 1 d . . .
H16A H 0.7522 0.2778 0.1581 0.066 Uiso 1 1 calc R . .
H16B H 0.6833 0.3938 0.1626 0.066 Uiso 1 1 calc R . .
H16C H 0.7608 0.3693 0.0695 0.066 Uiso 1 1 calc R . .
C17 C 0.6096(4) 0.2816(5) 0.0586(4) 0.0325(14) Uani 1 1 d . . .
C12 C 0.2871(4) 0.0358(4) -0.1986(4) 0.0291(13) Uani 1 1 d . . .
H12 H 0.2507 0.0971 -0.1675 0.035 Uiso 1 1 calc R . .
C7 C 1.0336(5) 0.2557(6) -0.1537(6) 0.058(2) Uani 1 1 d . . .
H7 H 1.0847 0.3108 -0.1766 0.070 Uiso 1 1 calc R . .
C3 C 0.8095(4) 0.0051(5) -0.0452(4) 0.0358(14) Uani 1 1 d . . .
H3A H 0.8566 -0.0581 -0.0172 0.043 Uiso 1 1 calc R . .
H3B H 0.7706 0.0389 0.0120 0.043 Uiso 1 1 calc R . .
C9 C 0.9189(4) 0.0913(5) -0.1856(4) 0.0421(15) Uani 1 1 d . . .
H9 H 0.8907 0.0341 -0.2310 0.050 Uiso 1 1 calc R . .
C2 C 0.6537(5) -0.1550(4) -0.2280(4) 0.0347(15) Uani 1 1 d . . .
H2 H 0.6427 -0.2148 -0.2756 0.042 Uiso 1 1 calc R . .
C5 C 0.9299(4) 0.1771(5) -0.0223(5) 0.0470(16) Uani 1 1 d . . .
H5 H 0.9086 0.1793 0.0462 0.056 Uiso 1 1 calc R . .
C6 C 1.0023(5) 0.2584(6) -0.0561(5) 0.061(2) Uani 1 1 d . . .
H6 H 1.0303 0.3161 -0.0112 0.073 Uiso 1 1 calc R . .
C19 C 0.4019(4) 0.3005(5) 0.0102(4) 0.0321(13) 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 1.930(5) . ?
Pt1 C11 1.985(5) . ?
Pt1 O1 2.045(3) . ?
Pt1 O2 2.094(3) . ?
N1 C1 1.360(6) . ?
N1 C2 1.371(6) . ?
N1 C10 1.443(6) . ?
C1 N2 1.338(5) . ?
O2 C17 1.257(6) . ?
N2 N3 1.388(5) . ?
N2 C3 1.455(6) . ?
O1 C19 1.273(6) . ?
C14 C15 1.379(6) . ?
C14 C13 1.388(7) . ?
C14 H14 0.9500 . ?
C20 C19 1.510(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C8 C7 1.366(8) . ?
C8 C9 1.394(7) . ?
C8 H8 0.9500 . ?
C4 C9 1.376(6) . ?
C4 C5 1.378(7) . ?
C4 C3 1.516(7) . ?
C13 C12 1.380(6) . ?
C13 H13 0.9500 . ?
C15 C10 1.375(6) . ?
C15 H15 0.9500 . ?
C18 C19 1.394(6) . ?
C18 C17 1.403(7) . ?
C18 H18 0.9500 . ?
C10 C11 1.395(6) . ?
N3 C2 1.303(6) . ?
C11 C12 1.399(6) . ?
C16 C17 1.512(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C12 H12 0.9500 . ?
C7 C6 1.358(8) . ?
C7 H7 0.9500 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C9 H9 0.9500 . ?
C2 H2 0.9500 . ?
C5 C6 1.380(7) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?

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 C11 80.4(2) . . ?
C1 Pt1 O1 171.97(18) . . ?
C11 Pt1 O1 91.72(16) . . ?
C1 Pt1 O2 97.55(18) . . ?
C11 Pt1 O2 177.10(15) . . ?
O1 Pt1 O2 90.24(13) . . ?
C1 N1 C2 109.4(4) . . ?
C1 N1 C10 115.5(4) . . ?
C2 N1 C10 135.0(5) . . ?
N2 C1 N1 102.7(4) . . ?
N2 C1 Pt1 140.4(4) . . ?
N1 C1 Pt1 116.9(3) . . ?
C17 O2 Pt1 124.4(3) . . ?
C1 N2 N3 114.0(4) . . ?
C1 N2 C3 126.7(4) . . ?
N3 N2 C3 119.1(4) . . ?
C19 O1 Pt1 125.4(3) . . ?
C15 C14 C13 120.3(5) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C7 C8 C9 120.3(6) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C9 C4 C5 118.9(5) . . ?
C9 C4 C3 122.3(5) . . ?
C5 C4 C3 118.8(5) . . ?
C12 C13 C14 120.1(5) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C10 C15 C14 117.5(5) . . ?
C10 C15 H15 121.3 . . ?
C14 C15 H15 121.3 . . ?
C19 C18 C17 126.2(5) . . ?
C19 C18 H18 116.9 . . ?
C17 C18 H18 116.9 . . ?
C15 C10 C11 125.6(5) . . ?
C15 C10 N1 123.5(4) . . ?
C11 C10 N1 110.9(4) . . ?
C2 N3 N2 103.1(4) . . ?
C10 C11 C12 114.3(4) . . ?
C10 C11 Pt1 116.2(4) . . ?
C12 C11 Pt1 129.5(4) . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O2 C17 C18 126.9(5) . . ?
O2 C17 C16 115.4(5) . . ?
C18 C17 C16 117.7(5) . . ?
C13 C12 C11 122.2(5) . . ?
C13 C12 H12 118.9 . . ?
C11 C12 H12 118.9 . . ?
C6 C7 C8 120.1(6) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
N2 C3 C4 115.6(4) . . ?
N2 C3 H3A 108.4 . . ?
C4 C3 H3A 108.4 . . ?
N2 C3 H3B 108.4 . . ?
C4 C3 H3B 108.4 . . ?
H3A C3 H3B 107.4 . . ?
C4 C9 C8 119.8(6) . . ?
C4 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
N3 C2 N1 110.8(5) . . ?
N3 C2 H2 124.6 . . ?
N1 C2 H2 124.6 . . ?
C4 C5 C6 120.9(6) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 120.0(7) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
O1 C19 C18 126.8(5) . . ?
O1 C19 C20 114.7(4) . . ?
C18 C19 C20 118.4(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
C2 N1 C1 N2 0.1(5) . . . . ?
C10 N1 C1 N2 176.5(4) . . . . ?
C2 N1 C1 Pt1 -178.5(3) . . . . ?
C10 N1 C1 Pt1 -2.1(5) . . . . ?
C11 Pt1 C1 N2 -176.6(6) . . . . ?
O2 Pt1 C1 N2 5.5(6) . . . . ?
C11 Pt1 C1 N1 1.3(3) . . . . ?
O2 Pt1 C1 N1 -176.6(3) . . . . ?
C1 Pt1 O2 C17 175.4(4) . . . . ?
O1 Pt1 O2 C17 -2.6(4) . . . . ?
N1 C1 N2 N3 0.2(5) . . . . ?
Pt1 C1 N2 N3 178.2(4) . . . . ?
N1 C1 N2 C3 -175.6(4) . . . . ?
Pt1 C1 N2 C3 2.5(8) . . . . ?
C11 Pt1 O1 C19 -175.4(4) . . . . ?
O2 Pt1 O1 C19 2.4(4) . . . . ?
C15 C14 C13 C12 0.6(8) . . . . ?
C13 C14 C15 C10 0.3(7) . . . . ?
C14 C15 C10 C11 0.1(7) . . . . ?
C14 C15 C10 N1 177.9(4) . . . . ?
C1 N1 C10 C15 -176.3(4) . . . . ?
C2 N1 C10 C15 -1.1(8) . . . . ?
C1 N1 C10 C11 1.8(6) . . . . ?
C2 N1 C10 C11 177.0(5) . . . . ?
C1 N2 N3 C2 -0.4(5) . . . . ?
C3 N2 N3 C2 175.7(4) . . . . ?
C15 C10 C11 C12 -1.3(7) . . . . ?
N1 C10 C11 C12 -179.3(4) . . . . ?
C15 C10 C11 Pt1 177.3(4) . . . . ?
N1 C10 C11 Pt1 -0.7(5) . . . . ?
C1 Pt1 C11 C10 -0.2(3) . . . . ?
O1 Pt1 C11 C10 178.1(3) . . . . ?
C1 Pt1 C11 C12 178.0(5) . . . . ?
O1 Pt1 C11 C12 -3.6(4) . . . . ?
Pt1 O2 C17 C18 2.8(7) . . . . ?
Pt1 O2 C17 C16 -176.7(3) . . . . ?
C19 C18 C17 O2 -1.9(9) . . . . ?
C19 C18 C17 C16 177.6(5) . . . . ?
C14 C13 C12 C11 -1.9(7) . . . . ?
C10 C11 C12 C13 2.2(7) . . . . ?
Pt1 C11 C12 C13 -176.1(4) . . . . ?
C9 C8 C7 C6 -1.5(9) . . . . ?
C1 N2 C3 C4 -96.8(6) . . . . ?
N3 N2 C3 C4 87.6(5) . . . . ?
C9 C4 C3 N2 -32.1(7) . . . . ?
C5 C4 C3 N2 148.0(5) . . . . ?
C5 C4 C9 C8 0.2(7) . . . . ?
C3 C4 C9 C8 -179.7(5) . . . . ?
C7 C8 C9 C4 0.7(8) . . . . ?
N2 N3 C2 N1 0.4(5) . . . . ?
C1 N1 C2 N3 -0.4(6) . . . . ?
C10 N1 C2 N3 -175.8(5) . . . . ?
C9 C4 C5 C6 -0.4(8) . . . . ?
C3 C4 C5 C6 179.5(5) . . . . ?
C8 C7 C6 C5 1.2(9) . . . . ?
C4 C5 C6 C7 -0.3(9) . . . . ?
Pt1 O1 C19 C18 -2.4(7) . . . . ?
Pt1 O1 C19 C20 177.3(3) . . . . ?
C17 C18 C19 O1 1.7(9) . . . . ?
C17 C18 C19 C20 -178.1(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        23.26
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.517
_refine_diff_density_min         -0.501
_refine_diff_density_rms         0.115





