# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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. 
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#######################################################################

data_mo_d8v17167_0m
_database_code_depnum_ccdc_archive 'CCDC 1826054'
_audit_update_record             
;
2018-02-27 deposited with the CCDC.
2018-04-27 downloaded from the CCDC.
;
_audit_creation_date             2017-07-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/8
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C70 H88 N2 O4 Pt2, 4(C H Cl3)'
_chemical_formula_sum            'C74 H92 Cl12 N2 O4 Pt2'
_chemical_formula_weight         1889.07
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

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

_cell_length_a                   13.9888(5)
_cell_length_b                   19.9742(8)
_cell_length_c                   14.8367(6)
_cell_angle_alpha                90
_cell_angle_beta                 105.1130(10)
_cell_angle_gamma                90
_cell_volume                     4002.2(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9962
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.497
_cell_measurement_theta_min      2.486
_shelx_estimated_absorpt_T_max   0.649
_shelx_estimated_absorpt_T_min   0.439
_exptl_absorpt_coefficient_mu    3.938
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.4403
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1550 before and 0.0760 after correction. The Ratio of minimum to maximum transmission is 0.5901. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1884
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_av_unetI/netI     0.0576
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            46777
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.532
_diffrn_reflns_theta_min         1.820
_diffrn_ambient_temperature      173.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9797
_reflns_number_total             12214
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.070
_refine_diff_density_min         -2.843
_refine_diff_density_rms         0.168
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         12214
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0435
_refine_ls_restrained_S_all      1.121
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0467P)²+13.1380P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1040
_refine_ls_wR_factor_ref         0.1148
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Cl4 \\sim Cl5 \\sim Cl6 \\sim C37: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(Cl6) \\sim Ueq, Uanis(Cl5) \\sim Ueq, Uanis(Cl4) \\sim Ueq, Uanis(C37)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
3.a Ternary CH refined with riding coordinates:
 C36(H36), C37(H37)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C9(H9), C11(H11), C12(H12), C16(H16), C27(H27)
3.c Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C30(H30A,H30B,H30C), C31(H31A,
 H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.75847(2) 0.36523(2) 0.37730(2) 0.01784(5) Uani 1 1 d . . . . .
O1 O 0.6732(2) 0.30440(16) 0.2833(2) 0.0272(7) Uani 1 1 d . . . . .
O2 O 0.8809(2) 0.33746(15) 0.3291(2) 0.0235(6) Uani 1 1 d . . . . .
N1 N 0.8273(2) 0.42511(16) 0.4849(2) 0.0185(6) Uani 1 1 d . . . . .
C1 C 0.6480(3) 0.3830(2) 0.4317(3) 0.0189(7) Uani 1 1 d . . . . .
C2 C 0.5480(3) 0.3683(2) 0.3918(3) 0.0212(8) Uani 1 1 d . . . . .
H2 H 0.5294 0.3477 0.3321 0.025 Uiso 1 1 calc R . . . .
C3 C 0.4746(3) 0.3830(2) 0.4373(3) 0.0217(8) Uani 1 1 d . . . . .
C4 C 0.5037(3) 0.4132(2) 0.5249(3) 0.0225(8) Uani 1 1 d . . . . .
H4 H 0.4548 0.4247 0.5563 0.027 Uiso 1 1 calc R . . . .
C5 C 0.6029(3) 0.4270(2) 0.5675(3) 0.0221(8) Uani 1 1 d . . . . .
H5 H 0.6208 0.4476 0.6273 0.027 Uiso 1 1 calc R . . . .
C6 C 0.6760(3) 0.41054(19) 0.5227(3) 0.0181(7) Uani 1 1 d . . . . .
C7 C 0.7812(3) 0.42760(19) 0.5532(3) 0.0186(7) Uani 1 1 d . . . . .
C8 C 0.8346(3) 0.44660(19) 0.6471(3) 0.0192(7) Uani 1 1 d . . . . .
C9 C 0.7994(3) 0.4312(2) 0.7251(3) 0.0217(8) Uani 1 1 d . . . . .
H9 H 0.7382 0.4081 0.7156 0.026 Uiso 1 1 calc R . . . .
C10 C 0.8501(3) 0.4482(2) 0.8146(3) 0.0240(8) Uani 1 1 d . . . . .
C11 C 0.9432(3) 0.4793(2) 0.8265(3) 0.0285(9) Uani 1 1 d . . . . .
H11 H 0.9802 0.4913 0.8876 0.034 Uiso 1 1 calc R . . . .
C12 C 0.9817(3) 0.4926(2) 0.7526(3) 0.0261(9) Uani 1 1 d . . . . .
H12 H 1.0454 0.5124 0.7635 0.031 Uiso 1 1 calc R . . . .
C13 C 0.9284(3) 0.4774(2) 0.6611(3) 0.0204(8) Uani 1 1 d . . . . .
C14 C 0.9654(3) 0.49045(19) 0.5807(3) 0.0185(7) Uani 1 1 d . . . . .
C15 C 0.9159(3) 0.46018(19) 0.4938(3) 0.0184(7) Uani 1 1 d . . . . .
C16 C 1.0486(3) 0.5299(2) 0.5841(3) 0.0209(8) Uani 1 1 d . . . . .
H16 H 1.0818 0.5505 0.6414 0.025 Uiso 1 1 calc R . . . .
C17 C 0.8085(3) 0.4372(2) 0.8991(3) 0.0270(9) Uani 1 1 d . . . . .
C18 C 0.7094(4) 0.4000(4) 0.8729(4) 0.0478(15) Uani 1 1 d . . . . .
H18A H 0.6612 0.4260 0.8262 0.072 Uiso 1 1 calc GR . . . .
H18B H 0.6852 0.3942 0.9287 0.072 Uiso 1 1 calc GR . . . .
H18C H 0.7185 0.3560 0.8470 0.072 Uiso 1 1 calc GR . . . .
C19 C 0.7921(5) 0.5061(3) 0.9392(4) 0.0420(13) Uani 1 1 d . . . . .
H19A H 0.8558 0.5291 0.9611 0.063 Uiso 1 1 calc GR . . . .
H19B H 0.7622 0.5000 0.9915 0.063 Uiso 1 1 calc GR . . . .
H19C H 0.7478 0.5329 0.8904 0.063 Uiso 1 1 calc GR . . . .
C20 C 0.8815(4) 0.3974(3) 0.9746(4) 0.0393(12) Uani 1 1 d . . . . .
H20A H 0.8933 0.3536 0.9497 0.059 Uiso 1 1 calc GR . . . .
H20B H 0.8539 0.3911 1.0283 0.059 Uiso 1 1 calc GR . . . .
H20C H 0.9442 0.4219 0.9943 0.059 Uiso 1 1 calc GR . . . .
C21 C 0.3667(3) 0.3660(2) 0.3898(3) 0.0246(9) Uani 1 1 d . . . . .
C22 C 0.3351(3) 0.3985(2) 0.2928(3) 0.0318(10) Uani 1 1 d . . . . .
H22A H 0.3444 0.4470 0.2989 0.048 Uiso 1 1 calc GR . . . .
H22B H 0.2651 0.3886 0.2641 0.048 Uiso 1 1 calc GR . . . .
H22C H 0.3755 0.3805 0.2535 0.048 Uiso 1 1 calc GR . . . .
C23 C 0.2965(3) 0.3904(3) 0.4470(4) 0.0346(11) Uani 1 1 d . . . . .
H23A H 0.3159 0.3704 0.5094 0.052 Uiso 1 1 calc GR . . . .
H23B H 0.2285 0.3771 0.4157 0.052 Uiso 1 1 calc GR . . . .
H23C H 0.3002 0.4393 0.4523 0.052 Uiso 1 1 calc GR . . . .
C24 C 0.3571(4) 0.2895(2) 0.3800(4) 0.0347(11) Uani 1 1 d . . . . .
H24A H 0.4015 0.2731 0.3435 0.052 Uiso 1 1 calc GR . . . .
H24B H 0.2886 0.2778 0.3480 0.052 Uiso 1 1 calc GR . . . .
H24C H 0.3752 0.2689 0.4420 0.052 Uiso 1 1 calc GR . . . .
C25 C 0.6143(4) 0.2236(3) 0.1680(4) 0.0401(13) Uani 1 1 d . . . . .
C26 C 0.7006(3) 0.2641(2) 0.2267(3) 0.0288(9) Uani 1 1 d . . . . .
C27 C 0.7970(3) 0.2568(2) 0.2194(3) 0.0304(10) Uani 1 1 d . . . . .
H27 H 0.8071 0.2252 0.1748 0.037 Uiso 1 1 calc R . . . .
C28 C 0.8811(3) 0.2913(2) 0.2711(3) 0.0234(8) Uani 1 1 d . . . . .
C29 C 0.9843(3) 0.2731(2) 0.2605(3) 0.0278(9) Uani 1 1 d . . . . .
C30 C 1.0407(5) 0.2442(4) 0.3547(5) 0.062(2) Uani 1 1 d . . . . .
H30A H 1.0382 0.2759 0.4044 0.093 Uiso 1 1 calc GR . . . .
H30B H 1.1098 0.2363 0.3547 0.093 Uiso 1 1 calc GR . . . .
H30C H 1.0102 0.2018 0.3655 0.093 Uiso 1 1 calc GR . . . .
C31 C 1.0366(4) 0.3373(3) 0.2425(5) 0.0467(14) Uani 1 1 d . . . . .
H31A H 0.9965 0.3595 0.1864 0.070 Uiso 1 1 calc GR . . . .
H31B H 1.1016 0.3260 0.2333 0.070 Uiso 1 1 calc GR . . . .
H31C H 1.0452 0.3673 0.2962 0.070 Uiso 1 1 calc GR . . . .
C32 C 0.9837(5) 0.2238(3) 0.1820(5) 0.0566(19) Uani 1 1 d . . . . .
H32A H 0.9525 0.1818 0.1936 0.085 Uiso 1 1 calc GR . . . .
H32B H 1.0519 0.2149 0.1796 0.085 Uiso 1 1 calc GR . . . .
H32C H 0.9463 0.2429 0.1224 0.085 Uiso 1 1 calc GR . . . .
C33 C 0.6455(5) 0.1728(4) 0.1045(5) 0.062(2) Uani 1 1 d . . . . .
H33A H 0.6782 0.1961 0.0626 0.092 Uiso 1 1 calc GR . . . .
H33B H 0.5869 0.1492 0.0675 0.092 Uiso 1 1 calc GR . . . .
H33C H 0.6915 0.1405 0.1426 0.092 Uiso 1 1 calc GR . . . .
C34 C 0.5414(5) 0.2733(4) 0.1085(5) 0.062(2) Uani 1 1 d . . . . .
H34A H 0.5177 0.3041 0.1493 0.093 Uiso 1 1 calc GR . . . .
H34B H 0.4851 0.2489 0.0690 0.093 Uiso 1 1 calc GR . . . .
H34C H 0.5746 0.2988 0.0690 0.093 Uiso 1 1 calc GR . . . .
C35 C 0.5631(5) 0.1869(4) 0.2326(5) 0.064(2) Uani 1 1 d . . . . .
H35A H 0.6096 0.1553 0.2716 0.096 Uiso 1 1 calc GR . . . .
H35B H 0.5056 0.1625 0.1951 0.096 Uiso 1 1 calc GR . . . .
H35C H 0.5412 0.2195 0.2724 0.096 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.60343(13) 0.18533(11) 0.50063(17) 0.0721(5) Uani 1 1 d . . . . .
Cl2 Cl 0.77366(16) 0.24927(11) 0.62149(14) 0.0684(5) Uani 1 1 d . . . . .
Cl3 Cl 0.79573(15) 0.16369(11) 0.47017(18) 0.0759(6) Uani 1 1 d . . . . .
C36 C 0.7195(5) 0.2207(3) 0.5086(5) 0.0483(15) Uani 1 1 d . . . . .
H36 H 0.7096 0.2603 0.4659 0.058 Uiso 1 1 calc R . . . .
Cl4 Cl 0.5129(3) 0.4698(3) 0.1249(4) 0.191(2) Uani 1 1 d . U . . .
Cl5 Cl 0.6102(6) 0.5459(3) 0.2657(4) 0.262(3) Uani 1 1 d . U . . .
Cl6 Cl 0.7151(3) 0.4708(4) 0.1601(3) 0.227(3) Uani 1 1 d . U . . .
C37 C 0.6233(6) 0.4790(4) 0.2079(6) 0.0686(19) Uani 1 1 d . U . . .
H37 H 0.6281 0.4406 0.2521 0.082 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 O1 1.994(3) . ?
Pt1 O2 2.095(3) . ?
Pt1 N1 2.026(3) . ?
Pt1 C1 1.954(4) . ?
O1 C26 1.291(5) . ?
O2 C28 1.263(5) . ?
N1 C7 1.336(5) . ?
N1 C15 1.400(5) . ?
C1 C2 1.400(6) . ?
C1 C6 1.415(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.399(6) . ?
C3 C4 1.393(6) . ?
C3 C21 1.528(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.394(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.397(6) . ?
C6 C7 1.462(5) . ?
C7 C8 1.449(6) . ?
C8 C9 1.405(6) . ?
C8 C13 1.414(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.375(6) . ?
C10 C11 1.412(6) . ?
C10 C17 1.529(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.367(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.402(6) . ?
C13 C14 1.442(6) . ?
C14 C15 1.428(5) . ?
C14 C16 1.395(5) . ?
C15 C16 1.386(6) 3_766 ?
C16 C15 1.386(6) 3_766 ?
C16 H16 0.9500 . ?
C17 C18 1.531(7) . ?
C17 C19 1.540(7) . ?
C17 C20 1.528(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.534(7) . ?
C21 C23 1.536(7) . ?
C21 C24 1.537(6) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.526(6) . ?
C25 C33 1.523(7) . ?
C25 C34 1.528(9) . ?
C25 C35 1.524(9) . ?
C26 C27 1.388(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.407(6) . ?
C28 C29 1.536(6) . ?
C29 C30 1.528(8) . ?
C29 C31 1.534(7) . ?
C29 C32 1.523(7) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
Cl1 C36 1.747(6) . ?
Cl2 C36 1.745(7) . ?
Cl3 C36 1.753(7) . ?
C36 H36 1.0000 . ?
Cl4 C37 1.715(10) . ?
Cl5 C37 1.624(9) . ?
Cl6 C37 1.629(8) . ?
C37 H37 1.0000 . ?

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
O1 Pt1 O2 89.61(12) . . ?
O1 Pt1 N1 170.22(13) . . ?
N1 Pt1 O2 99.35(12) . . ?
C1 Pt1 O1 90.34(14) . . ?
C1 Pt1 O2 173.76(15) . . ?
C1 Pt1 N1 80.32(15) . . ?
C26 O1 Pt1 127.6(3) . . ?
C28 O2 Pt1 125.0(3) . . ?
C7 N1 Pt1 113.3(3) . . ?
C7 N1 C15 120.1(3) . . ?
C15 N1 Pt1 126.6(3) . . ?
C2 C1 Pt1 126.8(3) . . ?
C2 C1 C6 118.8(4) . . ?
C6 C1 Pt1 114.4(3) . . ?
C1 C2 H2 119.0 . . ?
C3 C2 C1 122.0(4) . . ?
C3 C2 H2 119.0 . . ?
C2 C3 C21 119.4(4) . . ?
C4 C3 C2 117.9(4) . . ?
C4 C3 C21 122.7(4) . . ?
C3 C4 H4 119.2 . . ?
C3 C4 C5 121.5(4) . . ?
C5 C4 H4 119.2 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.2(4) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C7 113.1(4) . . ?
C5 C6 C1 119.4(4) . . ?
C5 C6 C7 126.9(4) . . ?
N1 C7 C6 113.7(4) . . ?
N1 C7 C8 120.5(4) . . ?
C8 C7 C6 125.7(4) . . ?
C9 C8 C7 122.0(4) . . ?
C9 C8 C13 119.1(4) . . ?
C13 C8 C7 118.8(4) . . ?
C8 C9 H9 118.8 . . ?
C10 C9 C8 122.5(4) . . ?
C10 C9 H9 118.8 . . ?
C9 C10 C11 117.2(4) . . ?
C9 C10 C17 123.0(4) . . ?
C11 C10 C17 119.7(4) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 C10 121.8(4) . . ?
C12 C11 H11 119.1 . . ?
C11 C12 H12 119.5 . . ?
C11 C12 C13 120.9(4) . . ?
C13 C12 H12 119.5 . . ?
C8 C13 C14 118.5(4) . . ?
C12 C13 C8 118.3(4) . . ?
C12 C13 C14 123.2(4) . . ?
C15 C14 C13 118.4(3) . . ?
C16 C14 C13 123.2(4) . . ?
C16 C14 C15 118.4(4) . . ?
N1 C15 C14 120.4(4) . . ?
C16 C15 N1 119.6(4) 3_766 . ?
C16 C15 C14 119.8(3) 3_766 . ?
C14 C16 H16 119.1 . . ?
C15 C16 C14 121.9(4) 3_766 . ?
C15 C16 H16 119.1 3_766 . ?
C10 C17 C18 112.0(4) . . ?
C10 C17 C19 108.4(4) . . ?
C18 C17 C19 108.4(5) . . ?
C20 C17 C10 110.6(4) . . ?
C20 C17 C18 108.8(4) . . ?
C20 C17 C19 108.7(4) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C3 C21 C22 110.3(4) . . ?
C3 C21 C23 111.8(4) . . ?
C3 C21 C24 108.4(4) . . ?
C22 C21 C23 108.3(4) . . ?
C22 C21 C24 109.5(4) . . ?
C23 C21 C24 108.4(4) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C34 107.1(5) . . ?
C33 C25 C26 113.3(4) . . ?
C33 C25 C34 109.4(5) . . ?
C33 C25 C35 109.1(5) . . ?
C35 C25 C26 109.1(5) . . ?
C35 C25 C34 108.9(6) . . ?
O1 C26 C25 112.2(4) . . ?
O1 C26 C27 125.2(4) . . ?
C27 C26 C25 122.6(4) . . ?
C26 C27 H27 116.7 . . ?
C26 C27 C28 126.6(4) . . ?
C28 C27 H27 116.7 . . ?
O2 C28 C27 125.4(4) . . ?
O2 C28 C29 114.4(4) . . ?
C27 C28 C29 120.2(4) . . ?
C30 C29 C28 105.7(4) . . ?
C30 C29 C31 108.6(5) . . ?
C31 C29 C28 108.9(4) . . ?
C32 C29 C28 114.4(4) . . ?
C32 C29 C30 110.7(5) . . ?
C32 C29 C31 108.4(5) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C25 C33 H33A 109.5 . . ?
C25 C33 H33B 109.5 . . ?
C25 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C25 C34 H34A 109.5 . . ?
C25 C34 H34B 109.5 . . ?
C25 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C25 C35 H35A 109.5 . . ?
C25 C35 H35B 109.5 . . ?
C25 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Cl1 C36 Cl3 110.4(4) . . ?
Cl1 C36 H36 107.7 . . ?
Cl2 C36 Cl1 111.1(4) . . ?
Cl2 C36 Cl3 112.1(4) . . ?
Cl2 C36 H36 107.7 . . ?
Cl3 C36 H36 107.7 . . ?
Cl4 C37 H37 106.4 . . ?
Cl5 C37 Cl4 105.3(6) . . ?
Cl5 C37 Cl6 121.5(7) . . ?
Cl5 C37 H37 106.4 . . ?
Cl6 C37 Cl4 110.0(5) . . ?
Cl6 C37 H37 106.4 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_mo_2017951-czdx_0m
_database_code_depnum_ccdc_archive 'CCDC 1826087'
_audit_update_record             
;
2018-02-27 deposited with the CCDC.
2018-04-27 downloaded from the CCDC.
;
_audit_creation_date             2017-11-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C59 H70 N2 O2 Pt'
_chemical_formula_sum            'C59 H70 N2 O2 Pt'
_chemical_formula_weight         1034.26
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   34.547(4)
_cell_length_b                   11.4277(14)
_cell_length_c                   27.364(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.157(3)
_cell_angle_gamma                90
_cell_volume                     10795(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3987
_cell_measurement_temperature    173
_cell_measurement_theta_max      23.622
_cell_measurement_theta_min      2.360
_shelx_estimated_absorpt_T_max   0.742
_shelx_estimated_absorpt_T_min   0.525
_exptl_absorpt_coefficient_mu    2.640
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5566
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1261 before and 0.0613 after correction. The Ratio of minimum to maximum transmission is 0.7465. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4256
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0717
_diffrn_reflns_av_unetI/netI     0.0873
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            37479
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_min         1.180
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8208
_reflns_number_total             12285
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.365
_refine_diff_density_min         -1.924
_refine_diff_density_rms         0.382
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         12285
_refine_ls_number_restraints     1573
_refine_ls_R_factor_all          0.0873
_refine_ls_R_factor_gt           0.0497
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.067
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1080P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1366
_refine_ls_wR_factor_ref         0.1933
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C50-C01G \\sim C51-C01G \\sim C52-C01G \\sim C53-C01G \\sim C48-C01G \\sim
C49-C01G
 with sigma of 0.02
 C58-C1AA \\sim C60-C58 \\sim C58-C0AA \\sim C61-C58 \\sim C58-C2AA \\sim
C59-C58
 with sigma of 0.02
 C5AA-C44 \\sim C46-C44 \\sim C45-C44 \\sim C47-C44 \\sim C44-C3AA \\sim
C4AA-C44
 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
Uanis(C46) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C47)
\\sim Ueq, Uanis(C01G) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C53) \\sim Ueq,
Uanis(C51) \\sim Ueq, Uanis(C60) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C59)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C6) \\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: C45(0.6) H45A(0.6) H45B(0.6) H45C(0.6) C49(0.5) H49A(0.5)
 H49B(0.5) H49C(0.5) C61(0.6) H61A(0.6) H61B(0.6) H61C(0.6) C59(0.6) H59A(0.6)
 H59B(0.6) H59C(0.6) C46(0.6) H46A(0.6) H46B(0.6) H46C(0.6) C47(0.6) H47A(0.6)
 H47B(0.6) H47C(0.6) C53(0.5) H53A(0.5) H53B(0.5) H53C(0.5) C51(0.5) H51A(0.5)
 H51B(0.5) H51C(0.5) C60(0.6) H60A(0.6) H60B(0.6) H60C(0.6) C50(0.5) H50A(0.5)
 H50B(0.5) H50C(0.5) C52(0.5) H52A(0.5) H52B(0.5) H52C(0.5) C48(0.5) H48A(0.5)
 H48B(0.5) H48C(0.5) C1AA(0.4) H1AA(0.4) H1AB(0.4) H1AC(0.4) C2AA(0.4)
 H2AA(0.4) H2AB(0.4) H2AC(0.4) C0AA(0.4) H0AA(0.4) H0AB(0.4) H0AC(0.4)
 C3AA(0.4) H3AA(0.4) H3AB(0.4) H3AC(0.4) C4AA(0.4) H4AA(0.4) H4AB(0.4)
 H4AC(0.4) C5AA(0.4) H5AA(0.4) H5AB(0.4) H5AC(0.4)
7.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C23(H23), C20(H20), C15(H15), C16(H16), C22(H22), C32(H32),
 C27(H27), C43(H43), C30(H30), C39(H39), C2(H2), C40(H40), C35(H35), C42(H42),
 C33(H33)
7.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C54(H54A,H54B,H54C), C11(H11A,H11B,H11C), C55(H55A,H55B,
 H55C), C9(H9A,H9B,H9C), C56(H56A,H56B,H56C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C),
 C7(H7A,H7B,H7C), C45(H45A,H45B,H45C), C49(H49A,H49B,H49C), C61(H61A,H61B,H61C),
  C59(H59A,H59B,H59C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C53(H53A,H53B,
 H53C), C51(H51A,H51B,H51C), C60(H60A,H60B,H60C), C50(H50A,H50B,H50C), C52(H52A,
 H52B,H52C), C48(H48A,H48B,H48C), C1AA(H1AA,H1AB,H1AC), C2AA(H2AA,H2AB,H2AC),
 C0AA(H0AA,H0AB,H0AC), C3AA(H3AA,H3AB,H3AC), C4AA(H4AA,H4AB,H4AC), C5AA(H5AA,
 H5AB,H5AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.78204(2) 0.49205(2) 0.65824(2) 0.02067(3) Uani 1 1 d . U . . .
O2 O 0.72830(6) 0.4224(2) 0.68034(7) 0.0225(6) Uani 1 1 d . U . . .
O1 O 0.80873(7) 0.4073(2) 0.71357(8) 0.0276(6) Uani 1 1 d . U . . .
N1 N 0.76203(8) 0.5981(2) 0.60344(9) 0.0211(6) Uani 1 1 d . U . . .
N2 N 0.62116(9) 0.5616(3) 0.49692(10) 0.0324(7) Uani 1 1 d . U . . .
C12 C 0.83081(10) 0.5721(3) 0.64340(12) 0.0237(7) Uani 1 1 d . U . . .
C18 C 0.78435(10) 0.6902(3) 0.59684(11) 0.0196(7) Uani 1 1 d . U . . .
C1 C 0.72456(10) 0.3650(3) 0.71923(11) 0.0244(7) Uani 1 1 d . U . . .
C13 C 0.86748(11) 0.5446(3) 0.66088(13) 0.0307(9) Uani 1 1 d . U . . .
H13 H 0.8711 0.4775 0.6810 0.037 Uiso 1 1 calc R . . . .
C21 C 0.77130(11) 1.0127(3) 0.57289(12) 0.0236(7) Uani 1 1 d . U . . .
C17 C 0.82538(10) 0.6718(3) 0.61358(11) 0.0231(7) Uani 1 1 d . U . . .
C23 C 0.71824(11) 0.9078(3) 0.53472(12) 0.0306(8) Uani 1 1 d . U . . .
H23 H 0.6949 0.9102 0.5153 0.037 Uiso 1 1 calc R . . . .
C20 C 0.78767(10) 0.9053(3) 0.58650(11) 0.0224(8) Uani 1 1 d . U . . .
H20 H 0.8123 0.9049 0.6031 0.027 Uiso 1 1 calc R . . . .
C15 C 0.89409(10) 0.7092(3) 0.61831(13) 0.0323(9) Uani 1 1 d . U . . .
H15 H 0.9157 0.7554 0.6098 0.039 Uiso 1 1 calc R . . . .
C3 C 0.79281(11) 0.3457(3) 0.74688(12) 0.0274(8) Uani 1 1 d . U . . .
C38 C 0.56787(11) 0.4592(4) 0.45884(14) 0.0386(9) Uani 1 1 d . U . . .
C8 C 0.68260(11) 0.3298(3) 0.73020(12) 0.0284(8) Uani 1 1 d . U . . .
C25 C 0.71141(10) 0.6882(3) 0.55115(11) 0.0253(7) Uani 1 1 d . U . . .
C28 C 0.67165(10) 0.4708(3) 0.55140(11) 0.0208(7) Uani 1 1 d . U . . .
C57 C 0.78829(11) 1.1281(3) 0.59165(12) 0.0292(8) Uani 1 1 d . U . . .
C36 C 0.61503(10) 0.3550(3) 0.52044(12) 0.0305(8) Uani 1 1 d . U . . .
C31 C 0.65001(10) 0.3610(3) 0.54874(12) 0.0247(7) Uani 1 1 d . U . . .
C19 C 0.76939(10) 0.7986(3) 0.57673(11) 0.0219(7) Uani 1 1 d . U . . .
C16 C 0.85778(10) 0.7370(3) 0.59991(12) 0.0269(8) Uani 1 1 d . U . . .
H16 H 0.8545 0.8006 0.5778 0.032 Uiso 1 1 calc R . . . .
C22 C 0.73692(12) 1.0061(3) 0.54367(14) 0.0306(9) Uani 1 1 d . U . . .
H22 H 0.7267 1.0762 0.5297 0.037 Uiso 1 1 calc R . . . .
C37 C 0.60249(11) 0.4608(4) 0.49391(13) 0.0321(8) Uani 1 1 d . U . . .
C32 C 0.66257(11) 0.2581(3) 0.57298(13) 0.0304(9) Uani 1 1 d . U . . .
H32 H 0.6862 0.2594 0.5919 0.037 Uiso 1 1 calc R . . . .
C27 C 0.70615(11) 0.4856(3) 0.57783(12) 0.0224(7) Uani 1 1 d . U . . .
H27 H 0.7168 0.4215 0.5959 0.027 Uiso 1 1 calc R . . . .
C43 C 0.54146(12) 0.5485(4) 0.46106(16) 0.0499(11) Uani 1 1 d . U . . .
H43 H 0.5450 0.6094 0.4844 0.060 Uiso 1 1 calc R . . . .
C30 C 0.67546(10) 0.6733(3) 0.52599(11) 0.0278(8) Uani 1 1 d . U . . .
H30 H 0.6642 0.7383 0.5092 0.033 Uiso 1 1 calc R . . . .
C29 C 0.65588(10) 0.5677(3) 0.52477(11) 0.0257(7) Uani 1 1 d . U . . .
C26 C 0.72573(10) 0.5919(3) 0.57860(11) 0.0199(7) Uani 1 1 d . U . . .
C24 C 0.73172(10) 0.7974(3) 0.55315(11) 0.0237(7) Uani 1 1 d . U . . .
C39 C 0.56293(12) 0.3755(5) 0.42434(15) 0.0582(11) Uani 1 1 d . U . . .
H39 H 0.5814 0.3143 0.4223 0.070 Uiso 1 1 calc R . . . .
C14 C 0.89962(11) 0.6128(4) 0.64977(14) 0.0400(9) Uani 1 1 d . U . . .
C10 C 0.65327(11) 0.3878(4) 0.69579(14) 0.0386(10) Uani 1 1 d . U . . .
H10A H 0.6570 0.4727 0.6967 0.058 Uiso 1 1 calc GR . . . .
H10B H 0.6271 0.3689 0.7059 0.058 Uiso 1 1 calc GR . . . .
H10C H 0.6567 0.3592 0.6624 0.058 Uiso 1 1 calc GR . . . .
C4 C 0.82358(12) 0.2957(4) 0.78396(14) 0.0441(9) Uani 1 1 d . U . . .
C2 C 0.75447(11) 0.3269(4) 0.75134(13) 0.0360(9) Uani 1 1 d . U . . .
H2 H 0.7471 0.2833 0.7791 0.043 Uiso 1 1 calc R . . . .
C54 C 0.76785(12) 1.1543(3) 0.63937(13) 0.0367(10) Uani 1 1 d . U . . .
H54A H 0.7400 1.1644 0.6323 0.055 Uiso 1 1 calc GR . . . .
H54B H 0.7785 1.2262 0.6540 0.055 Uiso 1 1 calc GR . . . .
H54C H 0.7720 1.0891 0.6622 0.055 Uiso 1 1 calc GR . . . .
C11 C 0.67768(13) 0.1977(4) 0.72443(16) 0.0486(12) Uani 1 1 d . U . . .
H11A H 0.6783 0.1769 0.6897 0.073 Uiso 1 1 calc GR . . . .
H11B H 0.6528 0.1739 0.7373 0.073 Uiso 1 1 calc GR . . . .
H11C H 0.6987 0.1575 0.7426 0.073 Uiso 1 1 calc GR . . . .
C55 C 0.83232(11) 1.1202(3) 0.60422(15) 0.0422(11) Uani 1 1 d . U . . .
H55A H 0.8370 1.0609 0.6296 0.063 Uiso 1 1 calc GR . . . .
H55B H 0.8417 1.1963 0.6162 0.063 Uiso 1 1 calc GR . . . .
H55C H 0.8460 1.0985 0.5749 0.063 Uiso 1 1 calc GR . . . .
C9 C 0.67376(13) 0.3618(4) 0.78281(13) 0.0497(12) Uani 1 1 d . U . . .
H9A H 0.6914 0.3191 0.8054 0.074 Uiso 1 1 calc GR . . . .
H9B H 0.6469 0.3406 0.7892 0.074 Uiso 1 1 calc GR . . . .
H9C H 0.6773 0.4461 0.7876 0.074 Uiso 1 1 calc GR . . . .
C40 C 0.53133(13) 0.3780(5) 0.39209(17) 0.0640(12) Uani 1 1 d . U . . .
H40 H 0.5289 0.3189 0.3677 0.077 Uiso 1 1 calc R . . . .
C35 C 0.59343(12) 0.2540(4) 0.51922(15) 0.0428(10) Uani 1 1 d . U . . .
H35 H 0.5697 0.2526 0.5006 0.051 Uiso 1 1 calc R . . . .
C42 C 0.50906(14) 0.5492(5) 0.42843(17) 0.0644(12) Uani 1 1 d . U . . .
H42 H 0.4907 0.6108 0.4302 0.077 Uiso 1 1 calc R . . . .
C33 C 0.64140(11) 0.1551(3) 0.57000(14) 0.0374(9) Uani 1 1 d . U . . .
H33 H 0.6513 0.0860 0.5852 0.045 Uiso 1 1 calc R . . . .
C58 C 0.94021(12) 0.5807(3) 0.67294(13) 0.0610(10) Uani 1 1 d D U . . .
C34 C 0.60538(12) 0.1527(4) 0.54469(17) 0.0491(10) Uani 1 1 d . U . . .
C41 C 0.50319(14) 0.4628(5) 0.39391(18) 0.0621(10) Uani 1 1 d . U . . .
C56 C 0.78168(13) 1.2298(3) 0.55575(14) 0.0441(11) Uani 1 1 d . U . . .
H56A H 0.7946 1.2128 0.5253 0.066 Uiso 1 1 calc GR . . . .
H56B H 0.7924 1.3019 0.5702 0.066 Uiso 1 1 calc GR . . . .
H56C H 0.7538 1.2398 0.5488 0.066 Uiso 1 1 calc GR . . . .
C5 C 0.80800(15) 0.2132(4) 0.82022(17) 0.0661(12) Uani 1 1 d . U . . .
H5A H 0.7860 0.2495 0.8360 0.099 Uiso 1 1 calc GR . . . .
H5B H 0.8283 0.1944 0.8450 0.099 Uiso 1 1 calc GR . . . .
H5C H 0.7994 0.1413 0.8036 0.099 Uiso 1 1 calc GR . . . .
C01G C 0.58131(11) 0.0399(4) 0.54301(14) 0.0714(9) Uani 1 1 d D U . . .
C44 C 0.46677(12) 0.4588(3) 0.35743(14) 0.0718(9) Uani 1 1 d D U . . .
C6 C 0.84596(16) 0.3921(5) 0.80663(19) 0.0864(14) Uani 1 1 d . U . . .
H6A H 0.8534 0.4476 0.7813 0.130 Uiso 1 1 calc GR . . . .
H6B H 0.8693 0.3608 0.8233 0.130 Uiso 1 1 calc GR . . . .
H6C H 0.8301 0.4324 0.8304 0.130 Uiso 1 1 calc GR . . . .
C7 C 0.85429(15) 0.2291(5) 0.75447(19) 0.0807(15) Uani 1 1 d . U . . .
H7A H 0.8412 0.1737 0.7321 0.121 Uiso 1 1 calc GR . . . .
H7B H 0.8718 0.1864 0.7771 0.121 Uiso 1 1 calc GR . . . .
H7C H 0.8692 0.2853 0.7357 0.121 Uiso 1 1 calc GR . . . .
C45 C 0.42909(19) 0.4520(9) 0.3838(3) 0.0772(18) Uani 0.6 1 d D U P A 1
H45A H 0.4287 0.3803 0.4034 0.116 Uiso 0.6 1 calc GR . P A 1
H45B H 0.4073 0.4511 0.3598 0.116 Uiso 0.6 1 calc GR . P A 1
H45C H 0.4268 0.5201 0.4052 0.116 Uiso 0.6 1 calc GR . P A 1
C49 C 0.5426(2) 0.0494(11) 0.5134(4) 0.081(2) Uani 0.5 1 d D U P B 1
H49A H 0.5253 0.1034 0.5299 0.121 Uiso 0.5 1 calc GR . P B 1
H49B H 0.5305 -0.0280 0.5109 0.121 Uiso 0.5 1 calc GR . P B 1
H49C H 0.5474 0.0789 0.4805 0.121 Uiso 0.5 1 calc GR . P B 1
C61 C 0.97141(19) 0.6691(6) 0.6625(3) 0.0711(17) Uani 0.6 1 d D U P C 2
H61A H 0.9727 0.6805 0.6271 0.107 Uiso 0.6 1 calc GR . P C 2
H61B H 0.9964 0.6404 0.6756 0.107 Uiso 0.6 1 calc GR . P C 2
H61C H 0.9653 0.7438 0.6781 0.107 Uiso 0.6 1 calc GR . P C 2
C59 C 0.9382(3) 0.5760(9) 0.7287(2) 0.0739(19) Uani 0.6 1 d D U P C 2
H59A H 0.9252 0.6464 0.7404 0.111 Uiso 0.6 1 calc GR . P C 2
H59B H 0.9645 0.5720 0.7434 0.111 Uiso 0.6 1 calc GR . P C 2
H59C H 0.9236 0.5065 0.7381 0.111 Uiso 0.6 1 calc GR . P C 2
C46 C 0.4691(3) 0.3558(6) 0.3205(3) 0.0794(17) Uani 0.6 1 d D U P A 1
H46A H 0.4942 0.3573 0.3051 0.119 Uiso 0.6 1 calc GR . P A 1
H46B H 0.4483 0.3637 0.2953 0.119 Uiso 0.6 1 calc GR . P A 1
H46C H 0.4661 0.2814 0.3378 0.119 Uiso 0.6 1 calc GR . P A 1
C47 C 0.4663(3) 0.5725(6) 0.3282(3) 0.0921(19) Uani 0.6 1 d D U P A 1
H47A H 0.4544 0.6346 0.3474 0.138 Uiso 0.6 1 calc GR . P A 1
H47B H 0.4512 0.5613 0.2975 0.138 Uiso 0.6 1 calc GR . P A 1
H47C H 0.4928 0.5947 0.3210 0.138 Uiso 0.6 1 calc GR . P A 1
C53 C 0.5708(3) 0.0208(9) 0.5981(3) 0.076(2) Uani 0.5 1 d D U P B 1
H53A H 0.5899 -0.0314 0.6141 0.113 Uiso 0.5 1 calc GR . P B 1
H53B H 0.5449 -0.0143 0.5994 0.113 Uiso 0.5 1 calc GR . P B 1
H53C H 0.5709 0.0964 0.6151 0.113 Uiso 0.5 1 calc GR . P B 1
C51 C 0.6078(2) -0.0591(7) 0.5265(4) 0.0767(18) Uani 0.5 1 d D U P B 1
H51A H 0.6148 -0.0455 0.4926 0.115 Uiso 0.5 1 calc GR . P B 1
H51B H 0.5942 -0.1341 0.5287 0.115 Uiso 0.5 1 calc GR . P B 1
H51C H 0.6313 -0.0610 0.5476 0.115 Uiso 0.5 1 calc GR . P B 1
C60 C 0.9505(3) 0.4551(6) 0.6599(4) 0.0820(18) Uani 0.6 1 d D U P C 2
H60A H 0.9344 0.4010 0.6780 0.123 Uiso 0.6 1 calc GR . P C 2
H60B H 0.9779 0.4407 0.6685 0.123 Uiso 0.6 1 calc GR . P C 2
H60C H 0.9459 0.4430 0.6247 0.123 Uiso 0.6 1 calc GR . P C 2
C50 C 0.5787(5) 0.0032(8) 0.4875(3) 0.093(3) Uani 0.5 1 d D U P B 2
H50A H 0.5641 0.0625 0.4686 0.140 Uiso 0.5 1 calc GR . P B 2
H50B H 0.5656 -0.0725 0.4841 0.140 Uiso 0.5 1 calc GR . P B 2
H50C H 0.6049 -0.0032 0.4751 0.140 Uiso 0.5 1 calc GR . P B 2
C52 C 0.6001(3) -0.0696(7) 0.5652(4) 0.094(2) Uani 0.5 1 d D U P B 2
H52A H 0.6284 -0.0612 0.5657 0.141 Uiso 0.5 1 calc GR . P B 2
H52B H 0.5925 -0.1380 0.5454 0.141 Uiso 0.5 1 calc GR . P B 2
H52C H 0.5916 -0.0801 0.5986 0.141 Uiso 0.5 1 calc GR . P B 2
C48 C 0.53781(19) 0.0633(11) 0.5481(5) 0.091(3) Uani 0.5 1 d D U P B 2
H48A H 0.5327 0.0799 0.5824 0.136 Uiso 0.5 1 calc GR . P B 2
H48B H 0.5230 -0.0057 0.5372 0.136 Uiso 0.5 1 calc GR . P B 2
H48C H 0.5301 0.1308 0.5279 0.136 Uiso 0.5 1 calc GR . P B 2
C1AA C 0.9405(4) 0.4796(7) 0.7105(4) 0.082(2) Uani 0.4 1 d D U P C 1
H1AA H 0.9211 0.4950 0.7350 0.123 Uiso 0.4 1 calc GR . P C 1
H1AB H 0.9662 0.4738 0.7267 0.123 Uiso 0.4 1 calc GR . P C 1
H1AC H 0.9343 0.4059 0.6937 0.123 Uiso 0.4 1 calc GR . P C 1
C2AA C 0.9446(4) 0.6714(8) 0.7159(3) 0.084(2) Uani 0.4 1 d D U P C 1
H2AA H 0.9496 0.7492 0.7025 0.126 Uiso 0.4 1 calc GR . P C 1
H2AB H 0.9662 0.6482 0.7380 0.126 Uiso 0.4 1 calc GR . P C 1
H2AC H 0.9206 0.6733 0.7340 0.126 Uiso 0.4 1 calc GR . P C 1
C0AA C 0.9722(2) 0.6111(13) 0.6381(3) 0.080(3) Uani 0.4 1 d D U P C 1
H0AA H 0.9646 0.5850 0.6050 0.121 Uiso 0.4 1 calc GR . P C 1
H0AB H 0.9962 0.5720 0.6490 0.121 Uiso 0.4 1 calc GR . P C 1
H0AC H 0.9762 0.6960 0.6381 0.121 Uiso 0.4 1 calc GR . P C 1
C3AA C 0.4817(3) 0.4788(12) 0.3068(3) 0.078(3) Uani 0.4 1 d D U P A 2
H3AA H 0.4949 0.5546 0.3058 0.117 Uiso 0.4 1 calc GR . P A 2
H3AB H 0.4599 0.4784 0.2828 0.117 Uiso 0.4 1 calc GR . P A 2
H3AC H 0.4999 0.4164 0.2990 0.117 Uiso 0.4 1 calc GR . P A 2
C4AA C 0.4468(3) 0.5812(7) 0.3645(4) 0.073(2) Uani 0.4 1 d D U P A 2
H4AA H 0.4320 0.5799 0.3944 0.110 Uiso 0.4 1 calc GR . P A 2
H4AB H 0.4293 0.5976 0.3363 0.110 Uiso 0.4 1 calc GR . P A 2
H4AC H 0.4667 0.6423 0.3672 0.110 Uiso 0.4 1 calc GR . P A 2
C5AA C 0.4364(2) 0.3816(9) 0.3811(4) 0.078(2) Uani 0.4 1 d D U P A 2
H5AA H 0.4391 0.3007 0.3699 0.116 Uiso 0.4 1 calc GR . P A 2
H5AB H 0.4104 0.4103 0.3719 0.116 Uiso 0.4 1 calc GR . P A 2
H5AC H 0.4402 0.3845 0.4168 0.116 Uiso 0.4 1 calc GR . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 O2 2.128(2) . ?
Pt1 O1 1.994(2) . ?
Pt1 N1 2.029(3) . ?
Pt1 C12 1.973(3) . ?
O2 C1 1.261(4) . ?
O1 C3 1.291(4) . ?
N1 C18 1.321(4) . ?
N1 C26 1.405(4) . ?
N2 C37 1.321(5) . ?
N2 C29 1.398(4) . ?
C12 C13 1.374(5) . ?
C12 C17 1.409(5) . ?
C18 C17 1.488(5) . ?
C18 C19 1.443(4) . ?
C1 C8 1.545(5) . ?
C1 C2 1.401(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.400(5) . ?
C21 C20 1.396(5) . ?
C21 C57 1.525(5) . ?
C21 C22 1.408(5) . ?
C17 C16 1.407(5) . ?
C23 H23 0.9500 . ?
C23 C22 1.314(5) . ?
C23 C24 1.430(5) . ?
C20 H20 0.9500 . ?
C20 C19 1.395(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.371(5) . ?
C15 C14 1.406(5) . ?
C3 C4 1.551(5) . ?
C3 C2 1.352(5) . ?
C38 C37 1.505(5) . ?
C38 C43 1.372(6) . ?
C38 C39 1.350(6) . ?
C8 C10 1.510(5) . ?
C8 C11 1.527(5) . ?
C8 C9 1.528(5) . ?
C25 C30 1.408(5) . ?
C25 C26 1.412(5) . ?
C25 C24 1.431(5) . ?
C28 C31 1.461(5) . ?
C28 C27 1.381(5) . ?
C28 C29 1.423(5) . ?
C57 C54 1.537(5) . ?
C57 C55 1.550(5) . ?
C57 C56 1.534(5) . ?
C36 C31 1.412(5) . ?
C36 C37 1.467(5) . ?
C36 C35 1.375(5) . ?
C31 C32 1.410(5) . ?
C19 C24 1.431(5) . ?
C16 H16 0.9500 . ?
C22 H22 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.387(5) . ?
C27 H27 0.9500 . ?
C27 C26 1.391(5) . ?
C43 H43 0.9500 . ?
C43 C42 1.405(6) . ?
C30 H30 0.9500 . ?
C30 C29 1.383(5) . ?
C39 H39 0.9500 . ?
C39 C40 1.378(6) . ?
C14 C58 1.561(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C4 C5 1.484(6) . ?
C4 C6 1.470(7) . ?
C4 C7 1.556(7) . ?
C2 H2 0.9500 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C40 H40 0.9500 . ?
C40 C41 1.375(7) . ?
C35 H35 0.9500 . ?
C35 C34 1.405(6) . ?
C42 H42 0.9500 . ?
C42 C41 1.376(8) . ?
C33 H33 0.9500 . ?
C33 C34 1.402(6) . ?
C58 C61 1.512(7) . ?
C58 C59 1.532(6) . ?
C58 C60 1.524(7) . ?
C58 C1AA 1.547(9) . ?
C58 C2AA 1.570(9) . ?
C58 C0AA 1.525(9) . ?
C34 C01G 1.534(6) . ?
C41 C44 1.577(6) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C01G C49 1.541(8) . ?
C01G C53 1.580(8) . ?
C01G C51 1.534(8) . ?
C01G C50 1.576(8) . ?
C01G C52 1.525(8) . ?
C01G C48 1.538(8) . ?
C44 C45 1.514(8) . ?
C44 C46 1.556(7) . ?
C44 C47 1.525(8) . ?
C44 C3AA 1.513(8) . ?
C44 C4AA 1.574(8) . ?
C44 C5AA 1.534(9) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C1AA H1AA 0.9800 . ?
C1AA H1AB 0.9800 . ?
C1AA H1AC 0.9800 . ?
C2AA H2AA 0.9800 . ?
C2AA H2AB 0.9800 . ?
C2AA H2AC 0.9800 . ?
C0AA H0AA 0.9800 . ?
C0AA H0AB 0.9800 . ?
C0AA H0AC 0.9800 . ?
C3AA H3AA 0.9800 . ?
C3AA H3AB 0.9800 . ?
C3AA H3AC 0.9800 . ?
C4AA H4AA 0.9800 . ?
C4AA H4AB 0.9800 . ?
C4AA H4AC 0.9800 . ?
C5AA H5AA 0.9800 . ?
C5AA H5AB 0.9800 . ?
C5AA H5AC 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
O1 Pt1 O2 89.19(9) . . ?
O1 Pt1 N1 170.51(10) . . ?
N1 Pt1 O2 99.01(10) . . ?
C12 Pt1 O2 173.06(11) . . ?
C12 Pt1 O1 90.44(12) . . ?
C12 Pt1 N1 80.84(12) . . ?
C1 O2 Pt1 123.5(2) . . ?
C3 O1 Pt1 127.2(2) . . ?
C18 N1 Pt1 113.1(2) . . ?
C18 N1 C26 119.2(3) . . ?
C26 N1 Pt1 126.9(2) . . ?
C37 N2 C29 119.0(3) . . ?
C13 C12 Pt1 127.3(3) . . ?
C13 C12 C17 119.2(3) . . ?
C17 C12 Pt1 113.4(2) . . ?
N1 C18 C17 113.5(3) . . ?
N1 C18 C19 122.3(3) . . ?
C19 C18 C17 124.2(3) . . ?
O2 C1 C8 115.2(3) . . ?
O2 C1 C2 126.5(3) . . ?
C2 C1 C8 118.2(3) . . ?
C12 C13 H13 119.2 . . ?
C12 C13 C14 121.7(3) . . ?
C14 C13 H13 119.2 . . ?
C20 C21 C57 121.6(3) . . ?
C20 C21 C22 115.4(3) . . ?
C22 C21 C57 122.9(3) . . ?
C12 C17 C18 113.4(3) . . ?
C16 C17 C12 119.5(3) . . ?
C16 C17 C18 127.0(3) . . ?
C22 C23 H23 118.8 . . ?
C22 C23 C24 122.5(3) . . ?
C24 C23 H23 118.7 . . ?
C21 C20 H20 118.6 . . ?
C19 C20 C21 122.8(3) . . ?
C19 C20 H20 118.6 . . ?
C16 C15 H15 119.8 . . ?
C16 C15 C14 120.5(3) . . ?
C14 C15 H15 119.8 . . ?
O1 C3 C4 111.3(3) . . ?
O1 C3 C2 126.5(3) . . ?
C2 C3 C4 122.2(3) . . ?
C43 C38 C37 118.5(4) . . ?
C39 C38 C37 122.1(4) . . ?
C39 C38 C43 119.4(4) . . ?
C10 C8 C1 112.1(3) . . ?
C10 C8 C11 107.5(3) . . ?
C10 C8 C9 109.2(3) . . ?
C11 C8 C1 109.9(3) . . ?
C11 C8 C9 108.0(3) . . ?
C9 C8 C1 110.1(3) . . ?
C30 C25 C26 116.8(3) . . ?
C30 C25 C24 123.1(3) . . ?
C26 C25 C24 119.9(3) . . ?
C27 C28 C31 124.1(3) . . ?
C27 C28 C29 118.7(3) . . ?
C29 C28 C31 117.2(3) . . ?
C21 C57 C54 105.7(3) . . ?
C21 C57 C55 112.7(3) . . ?
C21 C57 C56 113.2(3) . . ?
C54 C57 C55 107.5(3) . . ?
C56 C57 C54 109.6(3) . . ?
C56 C57 C55 107.9(3) . . ?
C31 C36 C37 117.5(3) . . ?
C35 C36 C31 120.4(3) . . ?
C35 C36 C37 122.0(3) . . ?
C36 C31 C28 119.6(3) . . ?
C32 C31 C28 123.0(3) . . ?
C32 C31 C36 117.3(3) . . ?
C20 C19 C18 121.6(3) . . ?
C20 C19 C24 119.5(3) . . ?
C24 C19 C18 118.0(3) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 C17 120.4(3) . . ?
C15 C16 H16 119.8 . . ?
C21 C22 H22 118.3 . . ?
C23 C22 C21 123.3(3) . . ?
C23 C22 H22 118.3 . . ?
N2 C37 C38 115.1(3) . . ?
N2 C37 C36 123.6(3) . . ?
C36 C37 C38 121.2(3) . . ?
C31 C32 H32 119.1 . . ?
C33 C32 C31 121.9(3) . . ?
C33 C32 H32 119.1 . . ?
C28 C27 H27 119.2 . . ?
C28 C27 C26 121.6(3) . . ?
C26 C27 H27 119.2 . . ?
C38 C43 H43 120.3 . . ?
C38 C43 C42 119.4(5) . . ?
C42 C43 H43 120.3 . . ?
C25 C30 H30 118.7 . . ?
C29 C30 C25 122.6(3) . . ?
C29 C30 H30 118.7 . . ?
N2 C29 C28 123.0(3) . . ?
C30 C29 N2 117.7(3) . . ?
C30 C29 C28 119.3(3) . . ?
N1 C26 C25 120.4(3) . . ?
C27 C26 N1 118.4(3) . . ?
C27 C26 C25 120.9(3) . . ?
C23 C24 C25 127.1(3) . . ?
C23 C24 C19 115.4(3) . . ?
C19 C24 C25 117.5(3) . . ?
C38 C39 H39 119.7 . . ?
C38 C39 C40 120.6(5) . . ?
C40 C39 H39 119.7 . . ?
C13 C14 C15 118.6(3) . . ?
C13 C14 C58 119.3(3) . . ?
C15 C14 C58 122.1(3) . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C3 C4 C7 107.8(3) . . ?
C5 C4 C3 114.5(4) . . ?
C5 C4 C7 107.9(4) . . ?
C6 C4 C3 109.7(3) . . ?
C6 C4 C5 113.1(4) . . ?
C6 C4 C7 103.2(4) . . ?
C1 C2 H2 116.7 . . ?
C3 C2 C1 126.6(3) . . ?
C3 C2 H2 116.7 . . ?
C57 C54 H54A 109.5 . . ?
C57 C54 H54B 109.5 . . ?
C57 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C57 C55 H55A 109.5 . . ?
C57 C55 H55B 109.5 . . ?
C57 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C39 C40 H40 118.8 . . ?
C41 C40 C39 122.4(5) . . ?
C41 C40 H40 118.8 . . ?
C36 C35 H35 119.0 . . ?
C36 C35 C34 122.1(4) . . ?
C34 C35 H35 119.0 . . ?
C43 C42 H42 119.1 . . ?
C41 C42 C43 121.7(5) . . ?
C41 C42 H42 119.1 . . ?
C32 C33 H33 119.9 . . ?
C32 C33 C34 120.1(4) . . ?
C34 C33 H33 119.9 . . ?
C14 C58 C2AA 102.0(5) . . ?
C61 C58 C14 113.7(4) . . ?
C61 C58 C59 105.7(5) . . ?
C61 C58 C60 114.2(5) . . ?
C59 C58 C14 109.8(4) . . ?
C60 C58 C14 109.9(4) . . ?
C60 C58 C59 102.7(6) . . ?
C1AA C58 C14 115.4(6) . . ?
C1AA C58 C2AA 89.8(5) . . ?
C0AA C58 C14 110.7(4) . . ?
C0AA C58 C1AA 126.8(8) . . ?
C0AA C58 C2AA 105.4(7) . . ?
C35 C34 C01G 121.9(4) . . ?
C33 C34 C35 117.9(4) . . ?
C33 C34 C01G 120.1(4) . . ?
C40 C41 C42 116.4(4) . . ?
C40 C41 C44 120.3(4) . . ?
C42 C41 C44 123.3(5) . . ?
C57 C56 H56A 109.5 . . ?
C57 C56 H56B 109.5 . . ?
C57 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C34 C01G C49 114.5(5) . . ?
C34 C01G C53 103.4(5) . . ?
C34 C01G C50 105.3(5) . . ?
C34 C01G C48 112.4(6) . . ?
C49 C01G C53 106.6(6) . . ?
C51 C01G C34 107.4(4) . . ?
C51 C01G C49 114.4(6) . . ?
C51 C01G C53 110.0(6) . . ?
C52 C01G C34 117.1(5) . . ?
C52 C01G C50 100.0(6) . . ?
C52 C01G C48 120.7(7) . . ?
C48 C01G C50 96.5(8) . . ?
C45 C44 C41 112.3(4) . . ?
C45 C44 C46 109.6(6) . . ?
C45 C44 C47 107.5(6) . . ?
C46 C44 C41 112.0(4) . . ?
C47 C44 C41 107.5(5) . . ?
C47 C44 C46 107.7(5) . . ?
C3AA C44 C41 106.5(5) . . ?
C3AA C44 C4AA 98.3(7) . . ?
C3AA C44 C5AA 137.4(7) . . ?
C4AA C44 C41 103.8(5) . . ?
C5AA C44 C41 106.9(5) . . ?
C5AA C44 C4AA 98.6(6) . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C01G C49 H49A 109.5 . . ?
C01G C49 H49B 109.5 . . ?
C01G C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C58 C61 H61A 109.5 . . ?
C58 C61 H61B 109.5 . . ?
C58 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C01G C53 H53A 109.5 . . ?
C01G C53 H53B 109.5 . . ?
C01G C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C01G C51 H51A 109.5 . . ?
C01G C51 H51B 109.5 . . ?
C01G C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C01G C50 H50A 109.5 . . ?
C01G C50 H50B 109.5 . . ?
C01G C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C01G C52 H52A 109.5 . . ?
C01G C52 H52B 109.5 . . ?
C01G C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C01G C48 H48A 109.5 . . ?
C01G C48 H48B 109.5 . . ?
C01G C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C58 C1AA H1AA 109.5 . . ?
C58 C1AA H1AB 109.5 . . ?
C58 C1AA H1AC 109.5 . . ?
H1AA C1AA H1AB 109.5 . . ?
H1AA C1AA H1AC 109.5 . . ?
H1AB C1AA H1AC 109.5 . . ?
C58 C2AA H2AA 109.5 . . ?
C58 C2AA H2AB 109.5 . . ?
C58 C2AA H2AC 109.5 . . ?
H2AA C2AA H2AB 109.5 . . ?
H2AA C2AA H2AC 109.5 . . ?
H2AB C2AA H2AC 109.5 . . ?
C58 C0AA H0AA 109.5 . . ?
C58 C0AA H0AB 109.5 . . ?
C58 C0AA H0AC 109.5 . . ?
H0AA C0AA H0AB 109.5 . . ?
H0AA C0AA H0AC 109.5 . . ?
H0AB C0AA H0AC 109.5 . . ?
C44 C3AA H3AA 109.5 . . ?
C44 C3AA H3AB 109.5 . . ?
C44 C3AA H3AC 109.5 . . ?
H3AA C3AA H3AB 109.5 . . ?
H3AA C3AA H3AC 109.5 . . ?
H3AB C3AA H3AC 109.5 . . ?
C44 C4AA H4AA 109.5 . . ?
C44 C4AA H4AB 109.5 . . ?
C44 C4AA H4AC 109.5 . . ?
H4AA C4AA H4AB 109.5 . . ?
H4AA C4AA H4AC 109.5 . . ?
H4AB C4AA H4AC 109.5 . . ?
C44 C5AA H5AA 109.4 . . ?
C44 C5AA H5AB 109.5 . . ?
C44 C5AA H5AC 109.5 . . ?
H5AA C5AA H5AB 109.5 . . ?
H5AA C5AA H5AC 109.5 . . ?
H5AB C5AA H5AC 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
