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

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

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1027603'
_audit_update_record             
;
2014-10-06 deposited with the CCDC.
2014-12-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C90 H66 Cl2 N7 O4 Pt2 Zn, 3.5 (C2 H3 N)'
_chemical_formula_sum            'C90 H76.50 Cl2 N10.50 O4 Pt2 Zn'
_chemical_formula_weight         1895.56

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0026 0.0014 '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 0.0052 0.0029 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0094 0.0053 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1354 0.1413 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.3172 1.2900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.1966 7.6255 '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                   15.2042(4)
_cell_length_b                   17.3084(4)
_cell_length_c                   17.7406(4)
_cell_angle_alpha                65.543(2)
_cell_angle_beta                 89.942(2)
_cell_angle_gamma                88.527(2)
_cell_volume                     4248.08(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    23983
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      30

_exptl_crystal_description       plate-like
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_F_000             1884
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    3.125
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.792
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.66825
_diffrn_source                   synchrotron
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_measurement_method       'ω and π scans'
_diffrn_reflns_number            38348
_diffrn_reflns_av_unetI/netI     0.1145
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.171
_diffrn_reflns_theta_max         24.706
_diffrn_reflns_theta_full        23.638
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measured_fraction_theta_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_point_group_measured_fraction_full 0.968
_reflns_number_total             38348
_reflns_number_gt                19740
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _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       ?
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies, v1.171.37.34'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies, v1.171.37.34'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

_refine_special_details          
;
Data were collected on a crystal which is composed of several domains. 
We treated data as a twinned crystal with two domains although 
there are still unindexed reflexions (about 6 %).
Data were collected on a rapidly degrading crystal, which was inserted in glue
to limit this degradation. However, despite this protection, we were not able 
to collect an attenuated scan to remeasure saturated reflections because 
crystal had already decomposed.
All these feature might explain the quite low quality of this crystal structure.

Refined as a 2-component perfect twin.

A model of disorder was introduced for one of the tetio-butyl groups. 

We were not able to have a sensible model of disorder for C46, C47 and C48 
atoms. We prefered to leave model as is.  

All residual density is located around Pt atoms, certainly due to the multiple 
domains of the crystal. We were thus not able to find a molecule of solvent 
in the void. 

;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1474P)²] 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         38348
_refine_ls_number_parameters     1014
_refine_ls_number_restraints     168
_refine_ls_R_factor_all          0.1520
_refine_ls_R_factor_gt           0.0919
_refine_ls_wR_factor_ref         0.2550
_refine_ls_wR_factor_gt          0.2324
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.014
_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 0.27030(3) 0.47856(3) 0.16767(3) 0.04422(18) Uani 1 1 d . . . . .
Pt2 Pt 0.08921(3) 0.46667(3) 0.05337(3) 0.05049(19) Uani 1 1 d . . . . .
Zn1 Zn 0.45281(10) 0.82727(9) -0.28194(10) 0.0552(4) Uani 1 1 d . . . . .
Cl1 Cl 0.4965(2) 0.76910(19) -0.1493(2) 0.0548(8) Uani 1 1 d . . . . .
Cl2 Cl 0.3238(2) 0.7881(2) -0.3151(2) 0.0630(9) Uani 1 1 d . . . . .
O1 O 0.2348(6) 0.5676(6) 0.2069(6) 0.057(2) Uani 1 1 d . . . . .
O2 O 0.2036(6) 0.3981(6) 0.2638(6) 0.054(2) Uani 1 1 d . . . . .
O3 O 0.0243(6) 0.3829(6) 0.1488(6) 0.056(2) Uani 1 1 d . . . . .
O4 O 0.1122(6) 0.3701(5) 0.0224(6) 0.054(2) Uani 1 1 d . . . . .
N1 N 0.3356(6) 0.5561(6) 0.0727(6) 0.042(2) Uani 1 1 d . . . . .
N2 N 0.3074(6) 0.3940(5) 0.1266(6) 0.037(2) Uani 1 1 d . . . . .
N3 N 0.5440(7) 0.7551(8) -0.3344(6) 0.053(3) Uani 1 1 d . . . . .
N4 N 0.5300(8) 0.9204(8) -0.3683(8) 0.069(3) Uani 1 1 d . . . . .
N5 N 0.4069(9) 0.9549(7) -0.2824(8) 0.070(3) Uani 1 1 d . . . . .
N6 N 0.0694(7) 0.5628(7) 0.0827(7) 0.049(3) Uani 1 1 d . . . . .
N7 N 0.1523(7) 0.5516(7) -0.0398(6) 0.049(2) Uani 1 1 d . . . . .
C1 C 0.2605(9) 0.6459(9) 0.1706(9) 0.055(3) Uani 1 1 d . . . . .
C2 C 0.2262(11) 0.7023(10) 0.2039(10) 0.070(4) Uani 1 1 d . . . . .
H2 H 0.1856 0.6824 0.2481 0.084 Uiso 1 1 calc R U . . .
C3 C 0.2517(12) 0.7866(10) 0.1720(11) 0.075(5) Uani 1 1 d . . . . .
H3 H 0.2275 0.8235 0.1945 0.090 Uiso 1 1 calc R U . . .
C4 C 0.3122(10) 0.8179(10) 0.1075(11) 0.068(4) Uani 1 1 d . . . . .
C5 C 0.3427(10) 0.7659(8) 0.0739(9) 0.056(3) Uani 1 1 d . . . . .
H5 H 0.3813 0.7877 0.0281 0.067 Uiso 1 1 calc R U . . .
C6 C 0.3192(9) 0.6795(8) 0.1044(8) 0.049(3) Uani 1 1 d . . . . .
C7 C 0.3369(12) 0.9060(10) 0.0807(12) 0.076(5) Uani 1 1 d . . . . .
C8 C 0.3563(13) 0.9768(12) 0.0633(14) 0.090(6) Uani 1 1 d . . . . .
C9 C 0.3835(17) 1.0628(15) 0.051(2) 0.127(9) Uani 1 1 d . U . . .
C10 C 0.311(2) 1.1042(15) 0.081(2) 0.155(12) Uani 1 1 d . U . . .
H10A H 0.2543 1.0979 0.0581 0.232 Uiso 1 1 calc R U . . .
H10B H 0.3225 1.1646 0.0632 0.232 Uiso 1 1 calc R U . . .
H10C H 0.3088 1.0767 0.1418 0.232 Uiso 1 1 calc R U . . .
C11 C 0.391(2) 1.1166(16) -0.045(2) 0.174(14) Uani 1 1 d . U . . .
H11A H 0.4513 1.1121 -0.0628 0.261 Uiso 1 1 calc R U . . .
H11B H 0.3757 1.1762 -0.0587 0.261 Uiso 1 1 calc R U . . .
H11C H 0.3504 1.0949 -0.0745 0.261 Uiso 1 1 calc R U . . .
C12 C 0.4757(18) 1.0580(17) 0.092(2) 0.141(10) Uani 1 1 d . U . . .
H12A H 0.4705 1.0318 0.1519 0.212 Uiso 1 1 calc R U . . .
H12B H 0.4981 1.1154 0.0737 0.212 Uiso 1 1 calc R U . . .
H12C H 0.5165 1.0237 0.0742 0.212 Uiso 1 1 calc R U . . .
C13 C 0.3512(8) 0.6339(8) 0.0572(8) 0.048(3) Uani 1 1 d . . . . .
H13 H 0.3867 0.6640 0.0107 0.058 Uiso 1 1 calc R U . . .
C14 C 0.2906(8) 0.3131(8) 0.1643(8) 0.048(3) Uani 1 1 d . . . . .
H14 H 0.3150 0.2773 0.1405 0.058 Uiso 1 1 calc R U . . .
C15 C 0.2398(8) 0.2728(8) 0.2371(9) 0.050(3) Uani 1 1 d . . . . .
C16 C 0.2303(9) 0.1856(9) 0.2669(9) 0.055(3) Uani 1 1 d . . . . .
H16 H 0.2604 0.1562 0.2393 0.066 Uiso 1 1 calc R U . . .
C17 C 0.1803(9) 0.1398(9) 0.3335(10) 0.063(4) Uani 1 1 d . . . . .
C18 C 0.1386(9) 0.1831(10) 0.3760(9) 0.060(3) Uani 1 1 d . . . . .
H18 H 0.1036 0.1526 0.4229 0.073 Uiso 1 1 calc R U . . .
C19 C 0.1476(9) 0.2685(9) 0.3507(9) 0.058(3) Uani 1 1 d . . . . .
H19 H 0.1172 0.2958 0.3802 0.069 Uiso 1 1 calc R U . . .
C20 C 0.1999(8) 0.3184(8) 0.2830(8) 0.049(3) Uani 1 1 d . . . . .
C21 C 0.1671(11) 0.0498(10) 0.3570(10) 0.069(4) Uani 1 1 d . . . . .
C22 C 0.1551(13) -0.0226(11) 0.3737(12) 0.083(5) Uani 1 1 d . U . . .
C23 C 0.1363(15) -0.1109(11) 0.3902(13) 0.101(6) Uani 1 1 d D U . . .
C24A C 0.106(4) -0.118(2) 0.313(2) 0.137(17) Uani 0.65(3) 1 d D U P A 1
H24A H 0.0468 -0.0938 0.2985 0.205 Uiso 0.65(3) 1 calc R U P A 1
H24B H 0.1063 -0.1785 0.3232 0.205 Uiso 0.65(3) 1 calc R U P A 1
H24C H 0.1465 -0.0881 0.2681 0.205 Uiso 0.65(3) 1 calc R U P A 1
C25A C 0.056(3) -0.144(2) 0.447(3) 0.142(17) Uani 0.65(3) 1 d D U P A 1
H25A H 0.0588 -0.1267 0.4931 0.213 Uiso 0.65(3) 1 calc R U P A 1
H25B H 0.0560 -0.2066 0.4699 0.213 Uiso 0.65(3) 1 calc R U P A 1
H25C H 0.0013 -0.1213 0.4155 0.213 Uiso 0.65(3) 1 calc R U P A 1
C26A C 0.202(3) -0.172(2) 0.451(3) 0.127(14) Uani 0.65(3) 1 d D U P A 1
H26A H 0.2613 -0.1592 0.4277 0.191 Uiso 0.65(3) 1 calc R U P A 1
H26B H 0.1880 -0.2299 0.4609 0.191 Uiso 0.65(3) 1 calc R U P A 1
H26C H 0.1998 -0.1649 0.5029 0.191 Uiso 0.65(3) 1 calc R U P A 1
C24B C 0.216(3) -0.136(3) 0.352(5) 0.115(19) Uani 0.35(3) 1 d D U P A 2
H24D H 0.2160 -0.1014 0.2919 0.173 Uiso 0.35(3) 1 calc R U P A 2
H24E H 0.2144 -0.1959 0.3630 0.173 Uiso 0.35(3) 1 calc R U P A 2
H24F H 0.2704 -0.1254 0.3761 0.173 Uiso 0.35(3) 1 calc R U P A 2
C25B C 0.038(3) -0.107(5) 0.371(8) 0.17(3) Uani 0.35(3) 1 d D U P A 2
H25D H 0.0180 -0.0480 0.3399 0.249 Uiso 0.35(3) 1 calc R U P A 2
H25E H 0.0049 -0.1322 0.4225 0.249 Uiso 0.35(3) 1 calc R U P A 2
H25F H 0.0268 -0.1391 0.3373 0.249 Uiso 0.35(3) 1 calc R U P A 2
C26B C 0.148(6) -0.174(4) 0.479(3) 0.12(2) Uani 0.35(3) 1 d D U P A 2
H26D H 0.2012 -0.1601 0.5026 0.181 Uiso 0.35(3) 1 calc R U P A 2
H26E H 0.1546 -0.2312 0.4821 0.181 Uiso 0.35(3) 1 calc R U P A 2
H26F H 0.0969 -0.1701 0.5113 0.181 Uiso 0.35(3) 1 calc R U P A 2
C27 C 0.3658(8) 0.5166(7) 0.0191(7) 0.041(3) Uani 1 1 d . . . . .
C28 C 0.3525(7) 0.4298(7) 0.0505(8) 0.043(3) Uani 1 1 d . . . . .
C29 C 0.3820(7) 0.3863(7) 0.0033(8) 0.045(3) Uani 1 1 d . . . . .
H29 H 0.3739 0.3269 0.0232 0.054 Uiso 1 1 calc R U . . .
C30 C 0.4219(8) 0.4282(8) -0.0701(8) 0.045(3) Uani 1 1 d . . . . .
H30 H 0.4427 0.3973 -0.1004 0.054 Uiso 1 1 calc R U . . .
C31 C 0.4331(8) 0.5167(8) -0.1027(8) 0.045(3) Uani 1 1 d . . . . .
C32 C 0.4049(8) 0.5602(7) -0.0548(8) 0.044(3) Uani 1 1 d . . . . .
H32 H 0.4131 0.6195 -0.0741 0.053 Uiso 1 1 calc R U . . .
C33 C 0.4728(8) 0.5663(8) -0.1797(9) 0.049(3) Uani 1 1 d . . . . .
C34 C 0.5029(9) 0.6151(9) -0.2432(9) 0.054(3) Uani 1 1 d . . . . .
C35 C 0.5516(8) 0.6716(10) -0.3144(9) 0.058(3) Uani 1 1 d . . . . .
C36 C 0.6043(10) 0.6373(12) -0.3581(10) 0.068(4) Uani 1 1 d . . . . .
H36 H 0.6076 0.5778 -0.3430 0.081 Uiso 1 1 calc R U . . .
C37 C 0.6509(11) 0.6923(15) -0.4232(11) 0.081(5) Uani 1 1 d . . . . .
H37 H 0.6878 0.6708 -0.4538 0.097 Uiso 1 1 calc R U . . .
C38 C 0.6452(11) 0.7762(15) -0.4445(10) 0.081(5) Uani 1 1 d . . . . .
H38 H 0.6765 0.8137 -0.4912 0.097 Uiso 1 1 calc R U . . .
C39 C 0.5927(10) 0.8095(12) -0.3979(9) 0.067(4) Uani 1 1 d . . . . .
C40 C 0.5878(11) 0.8979(11) -0.4149(9) 0.069(4) Uani 1 1 d . . . . .
C41 C 0.6401(12) 0.9599(15) -0.4721(11) 0.091(6) Uani 1 1 d . . . . .
H41 H 0.6832 0.9440 -0.5022 0.110 Uiso 1 1 calc R U . . .
C42 C 0.6300(15) 1.0423(14) -0.4850(14) 0.106(7) Uani 1 1 d . U . . .
H42 H 0.6629 1.0847 -0.5266 0.128 Uiso 1 1 calc R U . . .
C43 C 0.5721(14) 1.0636(13) -0.4379(13) 0.096(6) Uani 1 1 d . U . . .
H43 H 0.5663 1.1208 -0.4444 0.116 Uiso 1 1 calc R U . . .
C44 C 0.5219(11) 1.0020(10) -0.3806(12) 0.083(6) Uani 1 1 d . . . . .
C45 C 0.4554(13) 1.0198(10) -0.3308(12) 0.082(5) Uani 1 1 d . . . . .
C46 C 0.4413(16) 1.1011(11) -0.3342(19) 0.126(9) Uani 1 1 d . . . . .
H46 H 0.4755 1.1472 -0.3692 0.151 Uiso 1 1 calc R U . . .
C47 C 0.378(2) 1.1127(13) -0.286(3) 0.169(15) Uani 1 1 d . . . . .
H47 H 0.3667 1.1680 -0.2888 0.203 Uiso 1 1 calc R U . . .
C48 C 0.3284(16) 1.0469(12) -0.234(2) 0.132(10) Uani 1 1 d . . . . .
H48 H 0.2851 1.0546 -0.1987 0.159 Uiso 1 1 calc R U . . .
C49 C 0.3458(12) 0.9675(10) -0.2352(13) 0.080(5) Uani 1 1 d . . . . .
C50 C 0.2936(11) 0.8979(10) -0.1827(12) 0.073(4) Uani 1 1 d . . . . .
C51 C 0.2461(10) 0.8444(9) -0.1381(10) 0.063(4) Uani 1 1 d . . . . .
C52 C 0.1937(9) 0.7771(9) -0.0855(10) 0.062(4) Uani 1 1 d . . . . .
C53 C 0.1445(9) 0.7848(9) -0.0233(10) 0.059(3) Uani 1 1 d . . . . .
H53 H 0.1421 0.8374 -0.0183 0.071 Uiso 1 1 calc R U . . .
C54 C 0.0983(10) 0.7165(9) 0.0322(9) 0.059(3) Uani 1 1 d . . . . .
H54 H 0.0621 0.7225 0.0733 0.071 Uiso 1 1 calc R U . . .
C55 C 0.1063(9) 0.6400(8) 0.0261(8) 0.051(3) Uani 1 1 d . . . . .
C56 C 0.1520(8) 0.6319(8) -0.0408(8) 0.050(3) Uani 1 1 d . . . . .
C57 C 0.1977(9) 0.7010(8) -0.0955(8) 0.054(3) Uani 1 1 d . . . . .
H57 H 0.2311 0.6966 -0.1389 0.065 Uiso 1 1 calc R U . . .
C58 C 0.0319(9) 0.5576(10) 0.1512(8) 0.056(3) Uani 1 1 d . . . . .
C59 C -0.0063(9) 0.4825(9) 0.2119(8) 0.053(3) Uani 1 1 d . . . . .
C60 C -0.0454(9) 0.4912(11) 0.2797(10) 0.063(4) Uani 1 1 d . . . . .
H60 H -0.0434 0.5449 0.2821 0.076 Uiso 1 1 calc R U . . .
C61 C -0.0858(9) 0.4277(11) 0.3419(10) 0.067(4) Uani 1 1 d . . . . .
C62 C -0.0932(10) 0.3504(11) 0.3336(10) 0.071(4) Uani 1 1 d . . . . .
H62 H -0.1251 0.3059 0.3739 0.085 Uiso 1 1 calc R U . . .
C63 C -0.0569(10) 0.3383(10) 0.2711(9) 0.066(4) Uani 1 1 d . . . . .
H63 H -0.0621 0.2846 0.2691 0.079 Uiso 1 1 calc R U . . .
C64 C -0.0104(9) 0.4028(10) 0.2070(10) 0.066(4) Uani 1 1 d . . . . .
C65 C -0.1182(10) 0.4404(11) 0.4116(10) 0.066(4) Uani 1 1 d . . . . .
C66 C -0.1384(10) 0.4531(11) 0.4700(11) 0.070(4) Uani 1 1 d . . . . .
C67 C -0.1591(11) 0.4695(13) 0.5445(11) 0.077(5) Uani 1 1 d . . . . .
C68 C -0.0925(12) 0.4216(15) 0.6104(12) 0.094(6) Uani 1 1 d . . . . .
H68A H -0.0822 0.3649 0.6118 0.141 Uiso 1 1 calc R U . . .
H68B H -0.1144 0.4164 0.6642 0.141 Uiso 1 1 calc R U . . .
H68C H -0.0372 0.4522 0.5983 0.141 Uiso 1 1 calc R U . . .
C69 C -0.2522(11) 0.4400(15) 0.5730(11) 0.087(5) Uani 1 1 d . . . . .
H69A H -0.2942 0.4698 0.5277 0.131 Uiso 1 1 calc R U . . .
H69B H -0.2672 0.4525 0.6206 0.131 Uiso 1 1 calc R U . . .
H69C H -0.2549 0.3787 0.5891 0.131 Uiso 1 1 calc R U . . .
C70 C -0.1505(18) 0.5647(15) 0.5230(16) 0.122(9) Uani 1 1 d . . . . .
H70A H -0.0892 0.5808 0.5091 0.183 Uiso 1 1 calc R U . . .
H70B H -0.1680 0.5761 0.5706 0.183 Uiso 1 1 calc R U . . .
H70C H -0.1886 0.5979 0.4754 0.183 Uiso 1 1 calc R U . . .
C71 C 0.1880(9) 0.5334(9) -0.0985(9) 0.056(3) Uani 1 1 d . . . . .
H71 H 0.2124 0.5794 -0.1438 0.067 Uiso 1 1 calc R U . . .
C72 C 0.1940(9) 0.4532(9) -0.1015(9) 0.056(3) Uani 1 1 d . . . . .
C73 C 0.2445(9) 0.4495(10) -0.1672(9) 0.058(3) Uani 1 1 d . . . . .
H73 H 0.2670 0.5007 -0.2074 0.070 Uiso 1 1 calc R U . . .
C74 C 0.2620(9) 0.3759(10) -0.1750(9) 0.061(4) Uani 1 1 d . . . . .
C75 C 0.2222(11) 0.3016(10) -0.1197(11) 0.071(4) Uani 1 1 d . . . . .
H75 H 0.2308 0.2503 -0.1265 0.085 Uiso 1 1 calc R U . . .
C76 C 0.1719(11) 0.3020(10) -0.0568(11) 0.071(4) Uani 1 1 d . . . . .
H76 H 0.1456 0.2508 -0.0206 0.086 Uiso 1 1 calc R U . . .
C77 C 0.1571(9) 0.3779(9) -0.0433(9) 0.054(3) Uani 1 1 d . . . . .
C78 C 0.3251(10) 0.3724(10) -0.2360(10) 0.067(4) Uani 1 1 d . . . . .
C79 C 0.3817(10) 0.3684(10) -0.2799(10) 0.066(4) Uani 1 1 d . U . . .
C80 C 0.4567(11) 0.3640(11) -0.3305(12) 0.080(4) Uani 1 1 d D U . . .
C81 C 0.504(2) 0.4480(16) -0.364(2) 0.157(10) Uani 1 1 d D U . . .
H81A H 0.5538 0.4447 -0.3976 0.236 Uiso 1 1 calc R U . . .
H81B H 0.5253 0.4596 -0.3176 0.236 Uiso 1 1 calc R U . . .
H81C H 0.4630 0.4938 -0.3981 0.236 Uiso 1 1 calc R U . . .
C82 C 0.4220(16) 0.3530(15) -0.4036(13) 0.105(6) Uani 1 1 d . U . . .
H82A H 0.3887 0.4044 -0.4393 0.158 Uiso 1 1 calc R U . . .
H82B H 0.3834 0.3043 -0.3850 0.158 Uiso 1 1 calc R U . . .
H82C H 0.4711 0.3431 -0.4346 0.158 Uiso 1 1 calc R U . . .
C83 C 0.5171(14) 0.2900(16) -0.2830(13) 0.107(7) Uani 1 1 d . . . . .
H83A H 0.5446 0.2986 -0.2372 0.161 Uiso 1 1 calc R U . . .
H83B H 0.5628 0.2851 -0.3198 0.161 Uiso 1 1 calc R U . . .
H83C H 0.4834 0.2379 -0.2608 0.161 Uiso 1 1 calc R U . . .
N8 N 0.0329(14) 0.1964(13) 0.1649(15) 0.122(7) Uani 1 1 d D U . . .
C84 C 0.0450(19) 0.130(2) 0.1441(19) 0.147(12) Uani 1 1 d D U . . .
C85 C 0.066(3) 0.078(2) 0.109(3) 0.24(2) Uani 1 1 d D U . . .
H85A H 0.0666 0.1093 0.0488 0.355 Uiso 1 1 calc R U . . .
H85B H 0.0230 0.0328 0.1243 0.355 Uiso 1 1 calc R U . . .
H85C H 0.1248 0.0521 0.1286 0.355 Uiso 1 1 calc R U . . .
N9 N 0.4139(13) 0.7244(10) -0.5058(11) 0.096(5) Uani 1 1 d . . . . .
C86 C 0.3789(11) 0.6792(9) -0.4514(11) 0.067(4) Uani 1 1 d . . . . .
C87 C 0.3295(11) 0.6226(10) -0.3835(11) 0.071(4) Uani 1 1 d . . . . .
H87A H 0.2907 0.5901 -0.4028 0.106 Uiso 1 1 calc R U . . .
H87B H 0.2940 0.6553 -0.3602 0.106 Uiso 1 1 calc R U . . .
H87C H 0.3698 0.5836 -0.3408 0.106 Uiso 1 1 calc R U . . .
N10 N 0.199(2) 1.073(2) -0.4032(16) 0.173(12) Uani 1 1 d . U . . .
C88 C 0.164(2) 1.009(3) -0.377(2) 0.158(12) Uani 1 1 d . U . . .
C89 C 0.119(2) 0.934(3) -0.342(3) 0.23(2) Uani 1 1 d . U . . .
H89A H 0.0931 0.9275 -0.2895 0.345 Uiso 1 1 calc R U . . .
H89B H 0.1593 0.8856 -0.3331 0.345 Uiso 1 1 calc R U . . .
H89C H 0.0714 0.9343 -0.3804 0.345 Uiso 1 1 calc R U . . .
N11 N 0.019(2) 0.265(2) 0.792(2) 0.101(10) Uiso 0.5 1 d D . P . .
C90 C 0.074(3) 0.265(3) 0.749(3) 0.112(14) Uiso 0.5 1 d D . P . .
C91 C 0.146(4) 0.223(5) 0.727(4) 0.18(3) Uiso 0.5 1 d D . P . .
H91A H 0.1730 0.1800 0.7775 0.277 Uiso 0.5 1 calc R U P . .
H91B H 0.1896 0.2653 0.6967 0.277 Uiso 0.5 1 calc R U P . .
H91C H 0.1242 0.1963 0.6921 0.277 Uiso 0.5 1 calc R U P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 1.954(10) . ?
Pt1 N2 1.958(8) . ?
Pt1 O1 1.999(8) . ?
Pt1 O2 1.996(9) . ?
Pt2 N6 1.954(10) . ?
Pt2 N7 1.967(11) . ?
Pt2 O4 1.988(9) . ?
Pt2 O3 1.995(10) . ?
Pt2 Pt2 3.2119(10) 2_565 ?
Zn1 N4 2.091(12) . ?
Zn1 Cl1 2.236(4) . ?
Zn1 Cl2 2.248(4) . ?
Zn1 N3 2.285(12) . ?
Zn1 N5 2.295(13) . ?
O1 C1 1.306(17) . ?
O2 C20 1.280(16) . ?
O3 C64 1.320(19) . ?
O4 C77 1.310(17) . ?
N1 C13 1.287(15) . ?
N1 C27 1.451(14) . ?
N2 C14 1.309(15) . ?
N2 C28 1.414(16) . ?
N3 C35 1.339(19) . ?
N3 C39 1.363(18) . ?
N4 C44 1.34(2) . ?
N4 C40 1.36(2) . ?
N5 C49 1.32(2) . ?
N5 C45 1.34(2) . ?
N6 C58 1.312(17) . ?
N6 C55 1.426(17) . ?
N7 C71 1.319(18) . ?
N7 C56 1.383(17) . ?
C1 C2 1.422(19) . ?
C1 C6 1.41(2) . ?
C2 C3 1.39(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.40(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.34(2) . ?
C4 C7 1.46(2) . ?
C5 C6 1.418(19) . ?
C5 H5 0.9500 . ?
C6 C13 1.444(17) . ?
C7 C8 1.18(2) . ?
C8 C9 1.48(3) . ?
C9 C10 1.51(3) . ?
C9 C12 1.56(4) . ?
C9 C11 1.58(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 0.9500 . ?
C14 C15 1.425(19) . ?
C14 H14 0.9500 . ?
C15 C16 1.389(19) . ?
C15 C20 1.469(19) . ?
C16 C17 1.36(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.40(2) . ?
C17 C21 1.46(2) . ?
C18 C19 1.37(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.412(18) . ?
C19 H19 0.9500 . ?
C21 C22 1.18(2) . ?
C22 C23 1.47(2) . ?
C23 C24A 1.49(2) . ?
C23 C26B 1.51(3) . ?
C23 C26A 1.51(3) . ?
C23 C25B 1.53(3) . ?
C23 C24B 1.53(3) . ?
C23 C25A 1.56(3) . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C26A H26A 0.9800 . ?
C26A H26B 0.9800 . ?
C26A H26C 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?
C27 C32 1.358(17) . ?
C27 C28 1.390(16) . ?
C28 C29 1.404(17) . ?
C29 C30 1.353(18) . ?
C29 H29 0.9500 . ?
C30 C31 1.411(17) . ?
C30 H30 0.9500 . ?
C31 C32 1.409(17) . ?
C31 C33 1.422(19) . ?
C32 H32 0.9500 . ?
C33 C34 1.193(19) . ?
C34 C35 1.45(2) . ?
C35 C36 1.40(2) . ?
C36 C37 1.37(2) . ?
C36 H36 0.9500 . ?
C37 C38 1.34(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.42(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.43(3) . ?
C40 C41 1.40(2) . ?
C41 C42 1.35(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.36(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.38(2) . ?
C43 H43 0.9500 . ?
C44 C45 1.45(3) . ?
C45 C46 1.39(3) . ?
C46 C47 1.35(4) . ?
C46 H46 0.9500 . ?
C47 C48 1.37(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.40(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.44(2) . ?
C50 C51 1.20(2) . ?
C51 C52 1.42(2) . ?
C52 C53 1.38(2) . ?
C52 C57 1.40(2) . ?
C53 C54 1.39(2) . ?
C53 H53 0.9500 . ?
C54 C55 1.374(19) . ?
C54 H54 0.9500 . ?
C55 C56 1.43(2) . ?
C56 C57 1.391(19) . ?
C57 H57 0.9500 . ?
C58 C59 1.44(2) . ?
C59 C60 1.40(2) . ?
C59 C64 1.42(2) . ?
C60 C61 1.35(2) . ?
C60 H60 0.9500 . ?
C61 C62 1.41(2) . ?
C61 C65 1.43(2) . ?
C62 C63 1.33(2) . ?
C62 H62 0.9500 . ?
C63 C64 1.42(2) . ?
C63 H63 0.9500 . ?
C65 C66 1.18(2) . ?
C66 C67 1.49(2) . ?
C67 C68 1.50(3) . ?
C67 C69 1.53(2) . ?
C67 C70 1.54(3) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.41(2) . ?
C71 H71 0.9500 . ?
C72 C73 1.42(2) . ?
C72 C77 1.42(2) . ?
C73 C74 1.36(2) . ?
C73 H73 0.9500 . ?
C74 C75 1.41(2) . ?
C74 C78 1.46(2) . ?
C75 C76 1.35(2) . ?
C75 H75 0.9500 . ?
C76 C77 1.44(2) . ?
C76 H76 0.9500 . ?
C78 C79 1.18(2) . ?
C79 C80 1.47(2) . ?
C80 C82 1.49(3) . ?
C80 C83 1.50(3) . ?
C80 C81 1.52(2) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
N8 C84 1.35(3) . ?
C84 C85 1.33(3) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
N9 C86 1.11(2) . ?
C86 C87 1.43(2) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
N10 C88 1.14(5) . ?
C88 C89 1.40(5) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
N11 C90 1.12(3) . ?
C90 C91 1.44(3) . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 N2 83.7(4) . . ?
N1 Pt1 O1 94.5(4) . . ?
N2 Pt1 O1 178.2(4) . . ?
N1 Pt1 O2 179.1(4) . . ?
N2 Pt1 O2 95.4(4) . . ?
O1 Pt1 O2 86.4(4) . . ?
N6 Pt2 N7 82.4(5) . . ?
N6 Pt2 O4 178.6(4) . . ?
N7 Pt2 O4 96.4(4) . . ?
N6 Pt2 O3 96.1(4) . . ?
N7 Pt2 O3 178.5(4) . . ?
O4 Pt2 O3 85.1(4) . . ?
N6 Pt2 Pt2 84.8(3) . 2_565 ?
N7 Pt2 Pt2 88.1(3) . 2_565 ?
O4 Pt2 Pt2 95.9(3) . 2_565 ?
O3 Pt2 Pt2 91.7(3) . 2_565 ?
N4 Zn1 Cl1 118.6(4) . . ?
N4 Zn1 Cl2 122.9(4) . . ?
Cl1 Zn1 Cl2 118.32(14) . . ?
N4 Zn1 N3 75.1(5) . . ?
Cl1 Zn1 N3 100.1(3) . . ?
Cl2 Zn1 N3 98.1(3) . . ?
N4 Zn1 N5 73.2(5) . . ?
Cl1 Zn1 N5 95.6(4) . . ?
Cl2 Zn1 N5 98.4(3) . . ?
N3 Zn1 N5 148.3(4) . . ?
C1 O1 Pt1 122.6(8) . . ?
C20 O2 Pt1 123.9(8) . . ?
C64 O3 Pt2 122.1(9) . . ?
C77 O4 Pt2 122.6(8) . . ?
C13 N1 C27 122.1(11) . . ?
C13 N1 Pt1 125.3(9) . . ?
C27 N1 Pt1 112.5(7) . . ?
C14 N2 C28 123.4(10) . . ?
C14 N2 Pt1 123.7(8) . . ?
C28 N2 Pt1 112.8(7) . . ?
C35 N3 C39 119.1(13) . . ?
C35 N3 Zn1 129.7(9) . . ?
C39 N3 Zn1 111.2(10) . . ?
C44 N4 C40 119.4(14) . . ?
C44 N4 Zn1 121.5(13) . . ?
C40 N4 Zn1 119.2(11) . . ?
C49 N5 C45 119.3(15) . . ?
C49 N5 Zn1 127.1(10) . . ?
C45 N5 Zn1 113.2(12) . . ?
C58 N6 C55 121.2(11) . . ?
C58 N6 Pt2 124.4(10) . . ?
C55 N6 Pt2 114.2(9) . . ?
C71 N7 C56 123.2(12) . . ?
C71 N7 Pt2 122.0(9) . . ?
C56 N7 Pt2 114.8(8) . . ?
O1 C1 C2 115.6(13) . . ?
O1 C1 C6 127.4(11) . . ?
C2 C1 C6 117.0(13) . . ?
C3 C2 C1 120.5(15) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 121.4(13) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 118.5(14) . . ?
C5 C4 C7 124.4(16) . . ?
C3 C4 C7 117.1(14) . . ?
C4 C5 C6 122.2(14) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C1 C6 C5 120.3(11) . . ?
C1 C6 C13 123.8(12) . . ?
C5 C6 C13 115.6(12) . . ?
C8 C7 C4 176(2) . . ?
C7 C8 C9 174(3) . . ?
C8 C9 C10 109(2) . . ?
C8 C9 C12 110(2) . . ?
C10 C9 C12 115(2) . . ?
C8 C9 C11 107(2) . . ?
C10 C9 C11 107(2) . . ?
C12 C9 C11 108(3) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C6 125.7(12) . . ?
N1 C13 H13 117.1 . . ?
C6 C13 H13 117.1 . . ?
N2 C14 C15 127.2(11) . . ?
N2 C14 H14 116.4 . . ?
C15 C14 H14 116.4 . . ?
C16 C15 C14 117.7(12) . . ?
C16 C15 C20 118.9(12) . . ?
C14 C15 C20 123.4(12) . . ?
C17 C16 C15 123.8(14) . . ?
C17 C16 H16 118.1 . . ?
C15 C16 H16 118.1 . . ?
C16 C17 C18 117.9(13) . . ?
C16 C17 C21 120.7(15) . . ?
C18 C17 C21 121.3(14) . . ?
C19 C18 C17 120.8(13) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C18 C19 C20 123.4(14) . . ?
C18 C19 H19 118.3 . . ?
C20 C19 H19 118.3 . . ?
O2 C20 C19 118.6(12) . . ?
O2 C20 C15 126.2(11) . . ?
C19 C20 C15 115.0(12) . . ?
C22 C21 C17 178(2) . . ?
C21 C22 C23 177(2) . . ?
C22 C23 C24A 111.3(18) . . ?
C22 C23 C26B 115(3) . . ?
C22 C23 C26A 111(2) . . ?
C24A C23 C26A 123(3) . . ?
C22 C23 C25B 103(3) . . ?
C26B C23 C25B 106(5) . . ?
C22 C23 C24B 101(2) . . ?
C26B C23 C24B 100(4) . . ?
C25B C23 C24B 132(6) . . ?
C22 C23 C25A 112(2) . . ?
C24A C23 C25A 102(3) . . ?
C26A C23 C25A 95(3) . . ?
C23 C24A H24A 109.5 . . ?
C23 C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C23 C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C23 C25A H25A 109.5 . . ?
C23 C25A H25B 109.5 . . ?
H25A C25A H25B 109.5 . . ?
C23 C25A H25C 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C23 C26A H26A 109.5 . . ?
C23 C26A H26B 109.5 . . ?
H26A C26A H26B 109.5 . . ?
C23 C26A H26C 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
C23 C24B H24D 109.5 . . ?
C23 C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C23 C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C23 C25B H25D 109.5 . . ?
C23 C25B H25E 109.5 . . ?
H25D C25B H25E 109.5 . . ?
C23 C25B H25F 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C23 C26B H26D 109.5 . . ?
C23 C26B H26E 109.5 . . ?
H26D C26B H26E 109.5 . . ?
C23 C26B H26F 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?
C32 C27 C28 122.8(11) . . ?
C32 C27 N1 123.1(10) . . ?
C28 C27 N1 114.1(10) . . ?
C27 C28 N2 116.2(10) . . ?
C27 C28 C29 117.6(11) . . ?
N2 C28 C29 126.1(10) . . ?
C30 C29 C28 120.7(11) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
C29 C30 C31 121.3(11) . . ?
C29 C30 H30 119.3 . . ?
C31 C30 H30 119.3 . . ?
C32 C31 C30 118.1(11) . . ?
C32 C31 C33 116.5(11) . . ?
C30 C31 C33 125.5(11) . . ?
C27 C32 C31 119.4(11) . . ?
C27 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C34 C33 C31 173.2(13) . . ?
C33 C34 C35 171.9(14) . . ?
N3 C35 C36 123.1(14) . . ?
N3 C35 C34 117.6(12) . . ?
C36 C35 C34 119.3(14) . . ?
C37 C36 C35 117.5(17) . . ?
C37 C36 H36 121.2 . . ?
C35 C36 H36 121.2 . . ?
C38 C37 C36 120.9(16) . . ?
C38 C37 H37 119.6 . . ?
C36 C37 H37 119.6 . . ?
C37 C38 C39 120.5(16) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
N3 C39 C38 118.8(17) . . ?
N3 C39 C40 118.2(15) . . ?
C38 C39 C40 123.1(15) . . ?
N4 C40 C41 119.2(18) . . ?
N4 C40 C39 115.9(13) . . ?
C41 C40 C39 124.8(19) . . ?
C42 C41 C40 121(2) . . ?
C42 C41 H41 119.7 . . ?
C40 C41 H41 119.7 . . ?
C41 C42 C43 119.1(19) . . ?
C41 C42 H42 120.4 . . ?
C43 C42 H42 120.4 . . ?
C42 C43 C44 120(2) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
N4 C44 C43 122(2) . . ?
N4 C44 C45 115.0(14) . . ?
C43 C44 C45 123.4(19) . . ?
N5 C45 C46 121(2) . . ?
N5 C45 C44 116.8(15) . . ?
C46 C45 C44 121.8(18) . . ?
C47 C46 C45 118(2) . . ?
C47 C46 H46 120.9 . . ?
C45 C46 H46 120.9 . . ?
C46 C47 C48 122(2) . . ?
C46 C47 H47 119.0 . . ?
C48 C47 H47 119.0 . . ?
C47 C48 C49 116(2) . . ?
C47 C48 H48 122.0 . . ?
C49 C48 H48 122.0 . . ?
N5 C49 C48 123.0(17) . . ?
N5 C49 C50 119.8(14) . . ?
C48 C49 C50 117.2(18) . . ?
C51 C50 C49 175.1(17) . . ?
C50 C51 C52 176.3(16) . . ?
C53 C52 C57 121.2(14) . . ?
C53 C52 C51 120.9(14) . . ?
C57 C52 C51 117.8(14) . . ?
C54 C53 C52 120.8(14) . . ?
C54 C53 H53 119.6 . . ?
C52 C53 H53 119.6 . . ?
C55 C54 C53 118.3(14) . . ?
C55 C54 H54 120.8 . . ?
C53 C54 H54 120.8 . . ?
C54 C55 C56 121.7(13) . . ?
C54 C55 N6 124.7(13) . . ?
C56 C55 N6 113.6(11) . . ?
N7 C56 C57 126.1(13) . . ?
N7 C56 C55 115.0(12) . . ?
C57 C56 C55 118.6(12) . . ?
C56 C57 C52 118.9(14) . . ?
C56 C57 H57 120.5 . . ?
C52 C57 H57 120.5 . . ?
N6 C58 C59 125.0(13) . . ?
C60 C59 C64 118.4(14) . . ?
C60 C59 C58 115.9(14) . . ?
C64 C59 C58 125.7(13) . . ?
C61 C60 C59 124.0(16) . . ?
C61 C60 H60 118.0 . . ?
C59 C60 H60 118.0 . . ?
C60 C61 C62 116.7(15) . . ?
C60 C61 C65 120.2(16) . . ?
C62 C61 C65 123.1(15) . . ?
C63 C62 C61 121.8(15) . . ?
C63 C62 H62 119.1 . . ?
C61 C62 H62 119.1 . . ?
C62 C63 C64 122.5(16) . . ?
C62 C63 H63 118.8 . . ?
C64 C63 H63 118.8 . . ?
O3 C64 C59 126.4(13) . . ?
O3 C64 C63 117.1(14) . . ?
C59 C64 C63 116.5(14) . . ?
C66 C65 C61 174.6(17) . . ?
C65 C66 C67 177.2(17) . . ?
C66 C67 C68 107.9(14) . . ?
C66 C67 C69 109.0(14) . . ?
C68 C67 C69 111.1(16) . . ?
C66 C67 C70 109.5(16) . . ?
C68 C67 C70 108.0(18) . . ?
C69 C67 C70 111.3(16) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
N7 C71 C72 127.2(13) . . ?
N7 C71 H71 116.4 . . ?
C72 C71 H71 116.4 . . ?
C73 C72 C71 115.6(13) . . ?
C73 C72 C77 118.9(14) . . ?
C71 C72 C77 125.5(13) . . ?
C74 C73 C72 122.7(14) . . ?
C74 C73 H73 118.6 . . ?
C72 C73 H73 118.6 . . ?
C73 C74 C75 118.4(14) . . ?
C73 C74 C78 121.0(14) . . ?
C75 C74 C78 120.4(14) . . ?
C76 C75 C74 121.1(15) . . ?
C76 C75 H75 119.5 . . ?
C74 C75 H75 119.5 . . ?
C75 C76 C77 121.8(15) . . ?
C75 C76 H76 119.1 . . ?
C77 C76 H76 119.1 . . ?
O4 C77 C76 116.8(13) . . ?
O4 C77 C72 126.3(13) . . ?
C76 C77 C72 116.8(13) . . ?
C79 C78 C74 174.1(18) . . ?
C78 C79 C80 175.9(18) . . ?
C79 C80 C82 108.2(16) . . ?
C79 C80 C83 111.3(16) . . ?
C82 C80 C83 108.4(15) . . ?
C79 C80 C81 109.8(16) . . ?
C82 C80 C81 107(2) . . ?
C83 C80 C81 112(2) . . ?
C80 C81 H81A 109.5 . . ?
C80 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C80 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C80 C82 H82A 109.5 . . ?
C80 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C80 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C80 C83 H83A 109.5 . . ?
C80 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C80 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C85 C84 N8 167(4) . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
N9 C86 C87 177(2) . . ?
C86 C87 H87A 109.5 . . ?
C86 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C86 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
N10 C88 C89 177(5) . . ?
C88 C89 H89A 109.5 . . ?
C88 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C88 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
N11 C90 C91 152(6) . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.4 . . ?
H91A C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 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
Pt1 O1 C1 C2 177.3(10) . . . . ?
Pt1 O1 C1 C6 -4(2) . . . . ?
O1 C1 C2 C3 177.7(15) . . . . ?
C6 C1 C2 C3 -1(2) . . . . ?
C1 C2 C3 C4 -1(3) . . . . ?
C2 C3 C4 C5 3(3) . . . . ?
C2 C3 C4 C7 -177.8(16) . . . . ?
C3 C4 C5 C6 -3(2) . . . . ?
C7 C4 C5 C6 177.5(15) . . . . ?
O1 C1 C6 C5 -177.8(13) . . . . ?
C2 C1 C6 C5 1(2) . . . . ?
O1 C1 C6 C13 10(2) . . . . ?
C2 C1 C6 C13 -172.0(13) . . . . ?
C4 C5 C6 C1 2(2) . . . . ?
C4 C5 C6 C13 174.9(14) . . . . ?
C27 N1 C13 C6 176.0(11) . . . . ?
Pt1 N1 C13 C6 -3.6(18) . . . . ?
C1 C6 C13 N1 -5(2) . . . . ?
C5 C6 C13 N1 -178.1(12) . . . . ?
C28 N2 C14 C15 -174.5(11) . . . . ?
Pt1 N2 C14 C15 3.8(18) . . . . ?
N2 C14 C15 C16 180.0(12) . . . . ?
N2 C14 C15 C20 -2(2) . . . . ?
C14 C15 C16 C17 -176.9(13) . . . . ?
C20 C15 C16 C17 5(2) . . . . ?
C15 C16 C17 C18 -2(2) . . . . ?
C15 C16 C17 C21 174.6(14) . . . . ?
C16 C17 C18 C19 0(2) . . . . ?
C21 C17 C18 C19 -176.5(14) . . . . ?
C17 C18 C19 C20 -2(2) . . . . ?
Pt1 O2 C20 C19 -177.6(9) . . . . ?
Pt1 O2 C20 C15 -2.7(19) . . . . ?
C18 C19 C20 O2 179.5(13) . . . . ?
C18 C19 C20 C15 4(2) . . . . ?
C16 C15 C20 O2 179.4(13) . . . . ?
C14 C15 C20 O2 1(2) . . . . ?
C16 C15 C20 C19 -5.5(18) . . . . ?
C14 C15 C20 C19 176.4(12) . . . . ?
C13 N1 C27 C32 -6.4(18) . . . . ?
Pt1 N1 C27 C32 173.3(9) . . . . ?
C13 N1 C27 C28 172.6(11) . . . . ?
Pt1 N1 C27 C28 -7.7(12) . . . . ?
C32 C27 C28 N2 -177.3(11) . . . . ?
N1 C27 C28 N2 3.7(15) . . . . ?
C32 C27 C28 C29 0.7(18) . . . . ?
N1 C27 C28 C29 -178.3(10) . . . . ?
C14 N2 C28 C27 -179.3(11) . . . . ?
Pt1 N2 C28 C27 2.1(13) . . . . ?
C14 N2 C28 C29 2.8(18) . . . . ?
Pt1 N2 C28 C29 -175.7(9) . . . . ?
C27 C28 C29 C30 -0.1(17) . . . . ?
N2 C28 C29 C30 177.7(11) . . . . ?
C28 C29 C30 C31 -1.6(18) . . . . ?
C29 C30 C31 C32 2.6(18) . . . . ?
C29 C30 C31 C33 -178.9(12) . . . . ?
C28 C27 C32 C31 0.3(18) . . . . ?
N1 C27 C32 C31 179.3(11) . . . . ?
C30 C31 C32 C27 -1.9(17) . . . . ?
C33 C31 C32 C27 179.4(11) . . . . ?
C39 N3 C35 C36 -3(2) . . . . ?
Zn1 N3 C35 C36 173.1(10) . . . . ?
C39 N3 C35 C34 176.3(12) . . . . ?
Zn1 N3 C35 C34 -7.6(18) . . . . ?
N3 C35 C36 C37 1(2) . . . . ?
C34 C35 C36 C37 -178.2(14) . . . . ?
C35 C36 C37 C38 -1(2) . . . . ?
C36 C37 C38 C39 2(3) . . . . ?
C35 N3 C39 C38 4(2) . . . . ?
Zn1 N3 C39 C38 -172.4(11) . . . . ?
C35 N3 C39 C40 -176.1(13) . . . . ?
Zn1 N3 C39 C40 7.0(16) . . . . ?
C37 C38 C39 N3 -4(2) . . . . ?
C37 C38 C39 C40 176.5(16) . . . . ?
C44 N4 C40 C41 3(2) . . . . ?
Zn1 N4 C40 C41 -179.4(11) . . . . ?
C44 N4 C40 C39 179.9(14) . . . . ?
Zn1 N4 C40 C39 -2.2(18) . . . . ?
N3 C39 C40 N4 -4(2) . . . . ?
C38 C39 C40 N4 175.7(14) . . . . ?
N3 C39 C40 C41 173.3(14) . . . . ?
C38 C39 C40 C41 -7(2) . . . . ?
N4 C40 C41 C42 -4(3) . . . . ?
C39 C40 C41 C42 179.0(17) . . . . ?
C40 C41 C42 C43 4(3) . . . . ?
C41 C42 C43 C44 -3(3) . . . . ?
C40 N4 C44 C43 -2(2) . . . . ?
Zn1 N4 C44 C43 -179.4(13) . . . . ?
C40 N4 C44 C45 176.9(15) . . . . ?
Zn1 N4 C44 C45 -1(2) . . . . ?
C42 C43 C44 N4 2(3) . . . . ?
C42 C43 C44 C45 -176.7(19) . . . . ?
C49 N5 C45 C46 -2(3) . . . . ?
Zn1 N5 C45 C46 -175.3(17) . . . . ?
C49 N5 C45 C44 179.4(16) . . . . ?
Zn1 N5 C45 C44 6(2) . . . . ?
N4 C44 C45 N5 -4(2) . . . . ?
C43 C44 C45 N5 174.8(16) . . . . ?
N4 C44 C45 C46 177.6(19) . . . . ?
C43 C44 C45 C46 -4(3) . . . . ?
N5 C45 C46 C47 1(4) . . . . ?
C44 C45 C46 C47 180(3) . . . . ?
C45 C46 C47 C48 1(5) . . . . ?
C46 C47 C48 C49 -2(5) . . . . ?
C45 N5 C49 C48 1(3) . . . . ?
Zn1 N5 C49 C48 173.2(18) . . . . ?
C45 N5 C49 C50 -179.7(16) . . . . ?
Zn1 N5 C49 C50 -7(3) . . . . ?
C47 C48 C49 N5 1(4) . . . . ?
C47 C48 C49 C50 -178(3) . . . . ?
C57 C52 C53 C54 1(2) . . . . ?
C51 C52 C53 C54 -175.1(14) . . . . ?
C52 C53 C54 C55 3(2) . . . . ?
C53 C54 C55 C56 -7(2) . . . . ?
C53 C54 C55 N6 174.3(12) . . . . ?
C58 N6 C55 C54 -7.4(19) . . . . ?
Pt2 N6 C55 C54 177.6(11) . . . . ?
C58 N6 C55 C56 174.2(12) . . . . ?
Pt2 N6 C55 C56 -0.9(13) . . . . ?
C71 N7 C56 C57 -9(2) . . . . ?
Pt2 N7 C56 C57 174.1(10) . . . . ?
C71 N7 C56 C55 177.1(12) . . . . ?
Pt2 N7 C56 C55 0.3(14) . . . . ?
C54 C55 C56 N7 -178.2(12) . . . . ?
N6 C55 C56 N7 0.4(16) . . . . ?
C54 C55 C56 C57 7.5(19) . . . . ?
N6 C55 C56 C57 -174.0(11) . . . . ?
N7 C56 C57 C52 -176.9(12) . . . . ?
C55 C56 C57 C52 -3.2(19) . . . . ?
C53 C52 C57 C56 -1(2) . . . . ?
C51 C52 C57 C56 175.4(13) . . . . ?
C55 N6 C58 C59 -179.5(12) . . . . ?
Pt2 N6 C58 C59 -5.0(19) . . . . ?
N6 C58 C59 C60 -178.2(13) . . . . ?
N6 C58 C59 C64 -1(2) . . . . ?
C64 C59 C60 C61 1(2) . . . . ?
C58 C59 C60 C61 178.7(14) . . . . ?
C59 C60 C61 C62 -4(2) . . . . ?
C59 C60 C61 C65 175.4(13) . . . . ?
C60 C61 C62 C63 5(2) . . . . ?
C65 C61 C62 C63 -175.0(15) . . . . ?
C61 C62 C63 C64 -2(2) . . . . ?
Pt2 O3 C64 C59 -1(2) . . . . ?
Pt2 O3 C64 C63 178.6(10) . . . . ?
C60 C59 C64 O3 -178.4(13) . . . . ?
C58 C59 C64 O3 4(2) . . . . ?
C60 C59 C64 C63 2(2) . . . . ?
C58 C59 C64 C63 -175.5(13) . . . . ?
C62 C63 C64 O3 178.8(14) . . . . ?
C62 C63 C64 C59 -1(2) . . . . ?
C56 N7 C71 C72 177.8(13) . . . . ?
Pt2 N7 C71 C72 -5.6(19) . . . . ?
N7 C71 C72 C73 -173.2(13) . . . . ?
N7 C71 C72 C77 4(2) . . . . ?
C71 C72 C73 C74 175.0(13) . . . . ?
C77 C72 C73 C74 -3(2) . . . . ?
C72 C73 C74 C75 5(2) . . . . ?
C72 C73 C74 C78 -170.6(14) . . . . ?
C73 C74 C75 C76 -4(2) . . . . ?
C78 C74 C75 C76 172.1(16) . . . . ?
C74 C75 C76 C77 0(3) . . . . ?
Pt2 O4 C77 C76 177.6(10) . . . . ?
Pt2 O4 C77 C72 -1.1(18) . . . . ?
C75 C76 C77 O4 -175.7(15) . . . . ?
C75 C76 C77 C72 3(2) . . . . ?
C73 C72 C77 O4 177.0(12) . . . . ?
C71 C72 C77 O4 0(2) . . . . ?
C73 C72 C77 C76 -1.7(19) . . . . ?
C71 C72 C77 C76 -179.0(14) . . . . ?

_refine_diff_density_max         5.258
_refine_diff_density_min         -3.910
_refine_diff_density_rms         0.197

_shelxl_version_number           2013-4



