# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_I
_chemical_name_systematic        ?
_chemical_name_common            P6_LT
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H43 Cl4 N18 O3 Pd2 S7.50'
_chemical_formula_iupac          ?
_chemical_formula_weight         1479.02

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_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                   8.123(3)
_cell_length_b                   29.002(9)
_cell_length_c                   28.873(14)
_cell_angle_alpha                90
_cell_angle_beta                 93.922(16)
_cell_angle_gamma                90
_cell_volume                     6786.(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9960
_cell_measurement_theta_min      2.5418
_cell_measurement_theta_max      25.4092
_cell_measurement_temperature    296.(2)

_exptl_crystal_description       needle
_exptl_crystal_colour            'clear orange'
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2972

_exptl_absorpt_coefficient_mu    0.968
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_correction_T_min  0.73
_exptl_absorpt_correction_T_max  0.98

_exptl_special_details           
;
;

_diffrn_ambient_temperature      296.(2)

_diffrn_source                   ?
_diffrn_source_type              ?

_diffrn_radiation_type           ?
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            38026
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_theta_min         1.41
_diffrn_reflns_theta_max         25.33
_diffrn_reflns_theta_full        25.33
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       26

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_reflns_number_total             12166
_reflns_number_gt                9274
_reflns_threshold_expression     >2sigma(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1465
_refine_ls_R_factor_gt           0.1178
_refine_ls_wR_factor_gt          0.3175
_refine_ls_wR_factor_ref         0.3451
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_refine_ls_number_reflns         12166
_refine_ls_number_parameters     728
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1868P)²+202.2300P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         6.302
_refine_diff_density_min         -3.462
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
S S 0.1246 0.1234 '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'
Pd Pd -0.9988 1.0072 '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'

_computing_data_collection       'Bruker Instrument Service v2010.9.0.0'
_computing_cell_refinement       'SAINT V7.68A (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd Pd1 0.57892(12) 0.67718(3) 0.73500(3) 0.0228(3) Uani d . 1.0 A 4
Pd Pd2 1.02671(10) 0.53874(3) 0.63001(3) 0.0202(3) Uani d . 1.0 B 4
C C1 0.903(2) 0.8125(5) 0.6472(5) 0.039(3) Uani d . 1.0 C 4
C C2 0.901(2) 0.8596(5) 0.6399(6) 0.049(4) Uani d . 1.0 C 4
H H2 0.8566 0.8788 0.6616 0.059 Uiso calc R 1.0 C 4
C C3 0.965(3) 0.8787(6) 0.6006(7) 0.061(5) Uani d . 1.0 C 4
H H3 0.9682 0.9105 0.5968 0.073 Uiso calc R 1.0 C 4
C C4 1.0217(18) 0.8500(5) 0.5679(5) 0.040(3) Uani d . 1.0 C 4
C C5 1.0280(19) 0.8038(5) 0.5751(5) 0.042(3) Uani d . 1.0 C 4
H H5 1.073 0.7847 0.5534 0.05 Uiso calc R 1.0 C 4
C C6 0.9678(19) 0.7849(5) 0.6145(5) 0.041(3) Uani d . 1.0 C 4
H H6 0.9715 0.7531 0.619 0.049 Uiso calc R 1.0 C 4
C C7 0.7695(18) 0.7552(4) 0.6947(5) 0.033(3) Uani d . 1.0 A 4
C C8 0.6728(14) 0.6496(4) 0.6452(4) 0.023(2) Uani d . 1.0 A 4
C C9 0.7464(16) 0.6501(5) 0.5999(4) 0.027(3) Uani d . 1.0 A 4
H H9A 0.6759 0.6669 0.5779 0.041 Uiso calc R 1.0 A 4
H H9B 0.7586 0.619 0.5892 0.041 Uiso calc R 1.0 A 4
H H9C 0.8527 0.6646 0.6032 0.041 Uiso calc R 1.0 A 4
C C10 0.5882(14) 0.6098(4) 0.6638(4) 0.022(2) Uani d . 1.0 A 4
C C11 0.4925(14) 0.5467(4) 0.6791(4) 0.022(2) Uani d . 1.0 A 4
C C12 0.4615(13) 0.4961(4) 0.6796(4) 0.020(2) Uani d . 1.0 A 4
C C13 0.3321(16) 0.4778(4) 0.7092(5) 0.030(3) Uani d . 1.0 A 4
H H13A 0.3294 0.4447 0.7071 0.045 Uiso calc R 1.0 A 4
H H13B 0.2265 0.49 0.6986 0.045 Uiso calc R 1.0 A 4
H H13C 0.3576 0.4868 0.7409 0.045 Uiso calc R 1.0 A 4
C C15 0.7788(13) 0.4489(4) 0.6200(4) 0.021(2) Uani d . 1.0 A 4
C C16 0.8253(13) 0.3657(4) 0.6041(4) 0.022(2) Uani d . 1.0 A 4
C C17 0.8381(19) 0.3265(5) 0.6311(5) 0.046(4) Uani d . 1.0 A 4
H H17 0.7998 0.3271 0.6608 0.055 Uiso calc R 1.0 A 4
C C18 0.908(2) 0.2859(6) 0.6150(6) 0.054(5) Uani d . 1.0 A 4
H H18 0.9098 0.2588 0.6322 0.065 Uiso calc R 1.0 A 4
C C19 0.9733(16) 0.2882(4) 0.5721(5) 0.032(3) Uani d . 1.0 A 4
C C20 0.9620(16) 0.3273(5) 0.5442(5) 0.035(3) Uani d . 1.0 A 4
H H20 1.0052 0.3276 0.5152 0.043 Uiso calc R 1.0 A 4
C C21 0.8838(15) 0.3664(5) 0.5610(4) 0.029(3) Uani d . 1.0 A 4
H H21 0.8719 0.3928 0.5427 0.035 Uiso calc R 1.0 A 4
C C22 1.3520(16) 0.6884(5) 0.5630(5) 0.038(3) Uani d . 1.0 D 4
C C23 1.4077(19) 0.7079(5) 0.5227(6) 0.046(4) Uani d . 1.0 D 4
H H23 1.4039 0.6909 0.4953 0.055 Uiso calc R 1.0 D 4
C C24 1.4697(19) 0.7531(6) 0.5237(6) 0.050(4) Uani d . 1.0 D 4
H H24 1.508 0.7664 0.4971 0.06 Uiso calc R 1.0 D 4
C C25 1.4725(19) 0.7772(6) 0.5644(7) 0.052(4) Uani d . 1.0 D 4
C C26 1.4151(19) 0.7592(5) 0.6046(6) 0.045(4) Uani d . 1.0 D 4
H H26 1.4167 0.7768 0.6315 0.054 Uiso calc R 1.0 D 4
C C27 1.3541(18) 0.7138(5) 0.6038(5) 0.039(3) Uani d . 1.0 D 4
H H27 1.3155 0.7008 0.6305 0.047 Uiso calc R 1.0 D 4
C C28 1.2092(15) 0.6164(4) 0.5874(4) 0.029(3) Uani d . 1.0 B 4
C C29 1.0391(13) 0.6150(4) 0.6928(4) 0.020(2) Uani d . 1.0 B 4
C C30 1.0715(15) 0.6608(4) 0.7139(5) 0.028(3) Uani d . 1.0 B 4
H H30A 1.1852 0.6628 0.7252 0.042 Uiso calc R 1.0 B 4
H H30B 1.0023 0.6652 0.7391 0.042 Uiso calc R 1.0 B 4
H H30C 1.0481 0.6843 0.6909 0.042 Uiso calc R 1.0 B 4
C C31 0.9482(13) 0.5786(4) 0.7163(4) 0.019(2) Uani d . 1.0 B 4
C C32 0.8121(14) 0.5366(4) 0.7577(4) 0.021(2) Uani d . 1.0 B 4
C C33 0.7075(15) 0.5204(4) 0.7938(4) 0.024(3) Uani d . 1.0 B 4
C C34 0.6926(18) 0.4689(4) 0.8006(5) 0.034(3) Uani d . 1.0 B 4
H H34A 0.6149 0.4628 0.8234 0.051 Uiso calc R 1.0 B 4
H H34B 0.7983 0.4565 0.8109 0.051 Uiso calc R 1.0 B 4
H H34C 0.6552 0.4548 0.7717 0.051 Uiso calc R 1.0 B 4
C C36 0.4968(15) 0.6181(4) 0.8258(4) 0.024(3) Uani d . 1.0 A 4
C C37 0.2562(16) 0.6210(5) 0.8734(4) 0.031(3) Uani d . 1.0 A 4
C C38 0.2398(17) 0.6282(5) 0.9197(5) 0.034(3) Uani d . 1.0 A 4
H H38 0.3274 0.6214 0.9411 0.041 Uiso calc R 1.0 A 4
C C39 0.0946(18) 0.6456(5) 0.9352(5) 0.039(3) Uani d . 1.0 A 4
H H39 0.0824 0.6495 0.9668 0.047 Uiso calc R 1.0 A 4
C C40 -0.0300(17) 0.6568(6) 0.9031(5) 0.046(4) Uani d . 1.0 A 4
C C41 -0.0178(17) 0.6487(6) 0.8559(5) 0.041(4) Uani d . 1.0 A 4
H H41 -0.106 0.6555 0.8348 0.05 Uiso calc R 1.0 A 4
C C42 0.1239(17) 0.6309(5) 0.8411(5) 0.038(3) Uani d . 1.0 A 4
H H42 0.1332 0.6253 0.8096 0.046 Uiso calc R 1.0 A 4
C C43 0.158(3) 0.5064(9) 0.8279(8) 0.025(5) Uani d P 0.5 E 4
H H43A 0.218 0.5278 0.81 0.037 Uiso calc PR 0.5 E 4
H H43B 0.0723 0.5224 0.8425 0.037 Uiso calc PR 0.5 E 4
H H43C 0.1104 0.4829 0.8077 0.037 Uiso calc PR 0.5 E 4
C C44 0.137(4) 0.4516(11) 0.8959(12) 0.052(9) Uani d P 0.5 E 4
H H44A 0.1892 0.4311 0.9184 0.078 Uiso calc PR 0.5 E 4
H H44B 0.0712 0.4341 0.8733 0.078 Uiso calc PR 0.5 E 4
H H44C 0.0677 0.4728 0.9111 0.078 Uiso calc PR 0.5 E 4
C C100 0.435(4) 0.3024(12) 0.5865(10) 0.129(12) Uani d . 1.0 F 4
H H10A 0.4005 0.3238 0.5624 0.194 Uiso calc R 1.0 F 4
H H10B 0.3988 0.2719 0.5777 0.194 Uiso calc R 1.0 F 4
H H10C 0.553 0.3028 0.5913 0.194 Uiso calc R 1.0 F 4
C C101 0.384(3) 0.2683(8) 0.6678(10) 0.101(9) Uani d . 1.0 F 4
H H10D 0.4716 0.2536 0.6526 0.152 Uiso calc R 1.0 F 4
H H10E 0.2877 0.2491 0.6653 0.152 Uiso calc R 1.0 F 4
H H10F 0.4179 0.2731 0.6999 0.152 Uiso calc R 1.0 F 4
C C50A 0.333(3) 0.4387(10) 0.5609(9) 0.051(4) Uani d P 0.60(2) G 1
H H50A 0.2267 0.4381 0.544 0.077 Uiso calc PR 0.60(2) G 1
H H50B 0.3416 0.4658 0.5798 0.077 Uiso calc PR 0.60(2) G 1
H H50C 0.3449 0.4118 0.5802 0.077 Uiso calc PR 0.60(2) G 1
C C51A 0.372(4) 0.4678(10) 0.4736(10) 0.051(4) Uani d P 0.60(2) G 1
H H51A 0.4233 0.4626 0.445 0.077 Uiso calc PR 0.60(2) G 1
H H51B 0.3686 0.5003 0.4797 0.077 Uiso calc PR 0.60(2) G 1
H H51C 0.2623 0.4556 0.4712 0.077 Uiso calc PR 0.60(2) G 1
C C50B 0.314(5) 0.3969(15) 0.5750(14) 0.051(4) Uani d P 0.40(2) G 2
H H50D 0.3625 0.3702 0.5903 0.077 Uiso calc PR 0.40(2) G 2
H H50E 0.1963 0.3949 0.5745 0.077 Uiso calc PR 0.40(2) G 2
H H50F 0.3511 0.4242 0.5915 0.077 Uiso calc PR 0.40(2) G 2
C C51B 0.253(5) 0.4505(15) 0.5000(15) 0.051(4) Uani d P 0.40(2) G 2
H H51D 0.274 0.4741 0.5229 0.077 Uiso calc PR 0.40(2) G 2
H H51E 0.1377 0.4424 0.4986 0.077 Uiso calc PR 0.40(2) G 2
H H51F 0.2808 0.4615 0.4703 0.077 Uiso calc PR 0.40(2) G 2
Cl Cl1 1.0964(6) 0.87322(15) 0.51736(13) 0.0526(10) Uani d . 1.0 . .
Cl Cl2 1.0691(5) 0.23862(15) 0.55072(17) 0.0594(12) Uani d . 1.0 . .
Cl Cl3 1.5504(7) 0.83396(17) 0.56596(18) 0.0714(14) Uani d . 1.0 . .
Cl Cl4 -0.2144(5) 0.67875(19) 0.92162(14) 0.0589(12) Uani d . 1.0 . .
N N1 0.8414(17) 0.7962(4) 0.6885(4) 0.042(3) Uani d . 1.0 . .
N N2 0.7604(13) 0.7243(3) 0.6620(4) 0.026(2) Uani d . 1.0 . .
N N3 0.6818(12) 0.6852(3) 0.6740(3) 0.021(2) Uani d . 1.0 A .
N N4 0.5134(11) 0.6149(3) 0.7043(3) 0.020(2) Uani d . 1.0 . .
N N5 0.4502(12) 0.5736(3) 0.7142(3) 0.022(2) Uani d . 1.0 A .
N N6 0.5790(11) 0.5679(3) 0.6470(3) 0.020(2) Uani d . 1.0 . .
N N7 0.5443(12) 0.4651(3) 0.6588(3) 0.023(2) Uani d . 1.0 . .
N N8 0.6754(12) 0.4808(3) 0.6341(3) 0.023(2) Uani d . 1.0 A .
N N9 0.7375(12) 0.4046(3) 0.6223(3) 0.024(2) Uani d . 1.0 . .
N N10 1.2965(13) 0.6414(4) 0.5578(4) 0.035(3) Uani d . 1.0 . .
N N11 1.1784(12) 0.6329(3) 0.6282(4) 0.027(2) Uani d . 1.0 . .
N N12 1.0888(11) 0.6020(3) 0.6536(3) 0.021(2) Uani d . 1.0 B .
N N13 0.9385(11) 0.5363(3) 0.6960(3) 0.0181(13) Uani d . 1.0 . .
N N14 0.8557(11) 0.5092(3) 0.7227(3) 0.0181(13) Uani d . 1.0 B .
N N15 0.8701(11) 0.5808(3) 0.7546(3) 0.019(2) Uani d . 1.0 . .
N N16 0.6174(13) 0.5453(3) 0.8188(3) 0.026(2) Uani d . 1.0 . .
N N17 0.6176(13) 0.5930(3) 0.8104(3) 0.024(2) Uani d . 1.0 A .
N N18 0.4028(12) 0.6000(4) 0.8581(3) 0.025(2) Uani d . 1.0 . .
O O1 0.4666(13) 0.3537(4) 0.6609(4) 0.052(2) Uani d . 1.0 F .
O O2 0.530(3) 0.3961(9) 0.5102(8) 0.052(2) Uani d P 0.5 . .
O O3 0.356(3) 0.5179(8) 0.9020(8) 0.052(2) Uani d P 0.5 E .
S S1 0.6881(5) 0.74760(12) 0.75083(12) 0.0394(9) Uani d . 1.0 . .
S S2 0.9639(4) 0.46682(11) 0.59883(11) 0.0262(7) Uani d . 1.0 . .
S S3 1.1476(4) 0.56156(12) 0.56535(12) 0.0329(8) Uani d . 1.0 . .
S S4 0.4652(4) 0.67383(10) 0.80614(10) 0.0256(7) Uani d . 1.0 . .
S S5 0.2870(8) 0.4821(2) 0.8685(2) 0.0350(15) Uani d P 0.5 . .
S S6 0.3406(7) 0.3195(2) 0.6424(3) 0.108(3) Uani d . 1.0 . .
S S10A 0.4918(10) 0.4392(2) 0.5207(2) 0.0938(14) Uani d . 1.0 G 1
S S10B 0.3773(10) 0.3994(2) 0.5160(2) 0.0938(14) Uani d . 1.0 G 2
O O100 0.6781(11) 0.5071(3) 0.9276(3) 0.0264(19) Uani d . 1.0 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pd1 N3 . 2.015(9) ?
Pd1 N4 . 2.066(10) ?
Pd1 S1 . 2.261(4) ?
Pd1 S4 . 2.311(3) ?
Pd2 N12 . 2.009(10) ?
Pd2 N13 . 2.082(9) ?
Pd2 S3 . 2.267(3) ?
Pd2 S2 . 2.315(3) ?
C1 C6 . 1.37(2) ?
C1 C2 . 1.38(2) ?
C1 N1 . 1.406(17) ?
C2 C3 . 1.39(2) ?
C2 H2 . 0.93 ?
C3 C4 . 1.36(2) ?
C3 H3 . 0.93 ?
C4 C5 . 1.36(2) ?
C4 Cl1 . 1.753(13) ?
C5 C6 . 1.38(2) ?
C5 H5 . 0.93 ?
C6 H6 . 0.93 ?
C7 N2 . 1.299(16) ?
C7 N1 . 1.341(18) ?
C7 S1 . 1.807(13) ?
C8 N3 . 1.324(15) ?
C8 C9 . 1.475(17) ?
C8 C10 . 1.464(17) ?
C9 H9A . 0.96 ?
C9 H9B . 0.96 ?
C9 H9C . 0.96 ?
C10 N6 . 1.309(15) ?
C10 N4 . 1.364(14) ?
C10 C11 . 2.048(17) ?
C11 N5 . 1.341(15) ?
C11 N6 . 1.349(16) ?
C11 C12 . 1.489(16) ?
C12 N7 . 1.297(15) ?
C12 C13 . 1.496(17) ?
C13 H13A . 0.96 ?
C13 H13B . 0.96 ?
C13 H13C . 0.96 ?
C15 N9 . 1.332(15) ?
C15 N8 . 1.331(15) ?
C15 S2 . 1.740(12) ?
C16 C21 . 1.362(18) ?
C16 C17 . 1.379(19) ?
C16 N9 . 1.454(14) ?
C17 C18 . 1.40(2) ?
C17 H17 . 0.93 ?
C18 C19 . 1.38(2) ?
C18 H18 . 0.93 ?
C19 C20 . 1.39(2) ?
C19 Cl2 . 1.765(13) ?
C20 C21 . 1.401(18) ?
C20 H20 . 0.93 ?
C21 H21 . 0.93 ?
C22 C27 . 1.39(2) ?
C22 C23 . 1.395(19) ?
C22 N10 . 1.441(19) ?
C23 C24 . 1.40(2) ?
C23 H23 . 0.93 ?
C24 C25 . 1.37(3) ?
C24 H24 . 0.93 ?
C25 C26 . 1.38(2) ?
C25 Cl3 . 1.764(17) ?
C26 C27 . 1.41(2) ?
C26 H26 . 0.93 ?
C27 H27 . 0.93 ?
C28 N11 . 1.311(17) ?
C28 N10 . 1.358(16) ?
C28 S3 . 1.773(14) ?
C29 N12 . 1.286(15) ?
C29 C30 . 1.476(17) ?
C29 C31 . 1.479(15) ?
C30 H30A . 0.96 ?
C30 H30B . 0.96 ?
C30 H30C . 0.96 ?
C31 N15 . 1.313(14) ?
C31 N13 . 1.362(15) ?
C32 N14 . 1.352(15) ?
C32 N15 . 1.369(15) ?
C32 C33 . 1.466(17) ?
C33 N16 . 1.284(16) ?
C33 C34 . 1.512(16) ?
C34 H34A . 0.96 ?
C34 H34B . 0.96 ?
C34 H34C . 0.96 ?
C36 N17 . 1.322(16) ?
C36 N18 . 1.350(15) ?
C36 S4 . 1.728(12) ?
C37 C38 . 1.370(18) ?
C37 C42 . 1.40(2) ?
C37 N18 . 1.435(17) ?
C38 C39 . 1.38(2) ?
C38 H38 . 0.93 ?
C39 C40 . 1.36(2) ?
C39 H39 . 0.93 ?
C40 C41 . 1.39(2) ?
C40 Cl4 . 1.745(15) ?
C41 C42 . 1.36(2) ?
C41 H41 . 0.93 ?
C42 H42 . 0.93 ?
C43 S5 . 1.67(2) ?
C43 H43A . 0.96 ?
C43 H43B . 0.96 ?
C43 H43C . 0.96 ?
C44 S5 . 1.74(3) ?
C44 H44A . 0.96 ?
C44 H44B . 0.96 ?
C44 H44C . 0.96 ?
C100 S6 . 1.90(3) ?
C100 H10A . 0.96 ?
C100 H10B . 0.96 ?
C100 H10C . 0.96 ?
C101 S6 . 1.68(2) ?
C101 H10D . 0.96 ?
C101 H10E . 0.96 ?
C101 H10F . 0.96 ?
C50A S10A . 1.79(3) ?
C50A H50A . 0.96 ?
C50A H50B . 0.96 ?
C50A H50C . 0.96 ?
C51A S10A . 1.81(3) ?
C51A H51A . 0.96 ?
C51A H51B . 0.96 ?
C51A H51C . 0.96 ?
C50B S10B . 1.81(4) ?
C50B H50D . 0.96 ?
C50B H50E . 0.96 ?
C50B H50F . 0.96 ?
C51B S10B . 1.83(4) ?
C51B H51D . 0.96 ?
C51B H51E . 0.96 ?
C51B H51F . 0.96 ?
N2 N3 . 1.358(14) ?
N4 N5 . 1.341(14) ?
N7 N8 . 1.398(14) ?
N11 N12 . 1.393(13) ?
N13 N14 . 1.317(13) ?
N16 N17 . 1.403(14) ?
O1 S6 . 1.497(13) ?
O2 S10B . 1.27(2) ?
O2 S10A . 1.33(2) ?
O3 S5 . 1.50(2) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N3 Pd1 N4 . . 80.6(4) ?
N3 Pd1 S1 . . 83.8(3) ?
N4 Pd1 S1 . . 164.3(3) ?
N3 Pd1 S4 . . 175.6(3) ?
N4 Pd1 S4 . . 103.7(3) ?
S1 Pd1 S4 . . 91.91(12) ?
N12 Pd2 N13 . . 79.4(4) ?
N12 Pd2 S3 . . 84.2(3) ?
N13 Pd2 S3 . . 163.6(3) ?
N12 Pd2 S2 . . 176.4(3) ?
N13 Pd2 S2 . . 104.1(3) ?
S3 Pd2 S2 . . 92.24(12) ?
C6 C1 C2 . . 118.3(13) ?
C6 C1 N1 . . 124.3(13) ?
C2 C1 N1 . . 117.4(13) ?
C1 C2 C3 . . 121.1(15) ?
C1 C2 H2 . . 119.4 ?
C3 C2 H2 . . 119.4 ?
C4 C3 C2 . . 118.9(14) ?
C4 C3 H3 . . 120.5 ?
C2 C3 H3 . . 120.5 ?
C5 C4 C3 . . 120.5(13) ?
C5 C4 Cl1 . . 119.7(12) ?
C3 C4 Cl1 . . 119.7(12) ?
C4 C5 C6 . . 120.4(14) ?
C4 C5 H5 . . 119.8 ?
C6 C5 H5 . . 119.8 ?
C1 C6 C5 . . 120.7(14) ?
C1 C6 H6 . . 119.7 ?
C5 C6 H6 . . 119.7 ?
N2 C7 N1 . . 121.3(12) ?
N2 C7 S1 . . 124.1(10) ?
N1 C7 S1 . . 114.6(9) ?
N3 C8 C9 . . 122.7(11) ?
N3 C8 C10 . . 113.2(10) ?
C9 C8 C10 . . 124.1(11) ?
N6 C10 N4 . . 113.6(11) ?
N6 C10 C8 . . 127.9(10) ?
N4 C10 C8 . . 118.5(10) ?
N6 C10 C11 . . 40.3(7) ?
N4 C10 C11 . . 73.3(8) ?
C8 C10 C11 . . 168.1(9) ?
N5 C11 N6 . . 115.3(10) ?
N5 C11 C12 . . 120.8(11) ?
N6 C11 C12 . . 123.5(10) ?
N5 C11 C10 . . 76.4(7) ?
N6 C11 C10 . . 38.9(6) ?
C12 C11 C10 . . 161.7(10) ?
N7 C12 C11 . . 125.9(11) ?
N7 C12 C13 . . 115.1(10) ?
C11 C12 C13 . . 118.9(10) ?
N9 C15 N8 . . 119.2(11) ?
N9 C15 S2 . . 122.2(9) ?
N8 C15 S2 . . 118.6(9) ?
C21 C16 C17 . . 120.8(11) ?
C21 C16 N9 . . 122.1(11) ?
C17 C16 N9 . . 117.0(11) ?
C16 C17 C18 . . 121.4(14) ?
C16 C17 H17 . . 119.3 ?
C18 C17 H17 . . 119.3 ?
C19 C18 C17 . . 116.6(15) ?
C19 C18 H18 . . 121.7 ?
C17 C18 H18 . . 121.7 ?
C18 C19 C20 . . 122.8(12) ?
C18 C19 Cl2 . . 118.7(11) ?
C20 C19 Cl2 . . 118.5(11) ?
C21 C20 C19 . . 118.3(13) ?
C21 C20 H20 . . 120.8 ?
C19 C20 H20 . . 120.8 ?
C16 C21 C20 . . 119.9(13) ?
C16 C21 H21 . . 120.1 ?
C20 C21 H21 . . 120.1 ?
C27 C22 C23 . . 120.5(14) ?
C27 C22 N10 . . 125.1(12) ?
C23 C22 N10 . . 114.4(15) ?
C24 C23 C22 . . 119.8(17) ?
C24 C23 H23 . . 120.1 ?
C22 C23 H23 . . 120.1 ?
C25 C24 C23 . . 118.6(14) ?
C25 C24 H24 . . 120.7 ?
C23 C24 H24 . . 120.7 ?
C24 C25 C26 . . 123.0(15) ?
C24 C25 Cl3 . . 118.9(12) ?
C26 C25 Cl3 . . 118.1(15) ?
C25 C26 C27 . . 118.6(16) ?
C25 C26 H26 . . 120.7 ?
C27 C26 H26 . . 120.7 ?
C22 C27 C26 . . 119.5(13) ?
C22 C27 H27 . . 120.3 ?
C26 C27 H27 . . 120.3 ?
N11 C28 N10 . . 120.8(12) ?
N11 C28 S3 . . 125.7(10) ?
N10 C28 S3 . . 113.5(10) ?
N12 C29 C30 . . 124.7(10) ?
N12 C29 C31 . . 113.0(10) ?
C30 C29 C31 . . 122.3(11) ?
N15 C31 N13 . . 112.8(10) ?
N15 C31 C29 . . 129.6(11) ?
N13 C31 C29 . . 117.5(10) ?
N14 C32 N15 . . 113.0(10) ?
N14 C32 C33 . . 122.5(10) ?
N15 C32 C33 . . 124.4(10) ?
N16 C33 C32 . . 126.8(10) ?
N16 C33 C34 . . 115.5(11) ?
C32 C33 C34 . . 117.6(11) ?
N17 C36 N18 . . 119.1(11) ?
N17 C36 S4 . . 120.0(9) ?
N18 C36 S4 . . 120.9(9) ?
C38 C37 C42 . . 119.8(13) ?
C38 C37 N18 . . 120.2(12) ?
C42 C37 N18 . . 119.7(11) ?
C37 C38 C39 . . 120.9(13) ?
C37 C38 H38 . . 119.6 ?
C39 C38 H38 . . 119.6 ?
C40 C39 C38 . . 118.4(13) ?
C40 C39 H39 . . 120.8 ?
C38 C39 H39 . . 120.8 ?
C39 C40 C41 . . 121.7(14) ?
C39 C40 Cl4 . . 119.5(11) ?
C41 C40 Cl4 . . 118.8(12) ?
C42 C41 C40 . . 119.5(13) ?
C42 C41 H41 . . 120.2 ?
C40 C41 H41 . . 120.2 ?
C41 C42 C37 . . 119.6(12) ?
C41 C42 H42 . . 120.2 ?
C37 C42 H42 . . 120.2 ?
S5 C43 H43A . . 109.5 ?
S5 C43 H43B . . 109.5 ?
S5 C43 H43C . . 109.5 ?
S5 C44 H44A . . 109.5 ?
S5 C44 H44B . . 109.5 ?
S5 C44 H44C . . 109.5 ?
S6 C100 H10A . . 109.5 ?
S6 C100 H10B . . 109.5 ?
S6 C100 H10C . . 109.5 ?
S6 C101 H10D . . 109.5 ?
S6 C101 H10E . . 109.5 ?
S6 C101 H10F . . 109.5 ?
S10B C50B H50D . . 109.5 ?
S10B C50B H50E . . 109.5 ?
H50D C50B H50E . . 109.5 ?
S10B C50B H50F . . 109.5 ?
H50D C50B H50F . . 109.5 ?
H50E C50B H50F . . 109.5 ?
S10B C51B H51D . . 109.5 ?
S10B C51B H51E . . 109.5 ?
H51D C51B H51E . . 109.5 ?
S10B C51B H51F . . 109.5 ?
H51D C51B H51F . . 109.5 ?
H51E C51B H51F . . 109.5 ?
C7 N1 C1 . . 126.3(12) ?
C7 N2 N3 . . 113.3(10) ?
C8 N3 N2 . . 120.0(10) ?
C8 N3 Pd1 . . 116.7(8) ?
N2 N3 Pd1 . . 123.3(7) ?
N5 N4 C10 . . 106.6(9) ?
N5 N4 Pd1 . . 141.3(7) ?
C10 N4 Pd1 . . 110.2(8) ?
C11 N5 N4 . . 103.7(9) ?
C10 N6 C11 . . 100.8(9) ?
C12 N7 N8 . . 116.6(10) ?
C15 N8 N7 . . 116.6(10) ?
C15 N9 C16 . . 126.8(10) ?
C28 N10 C22 . . 127.8(12) ?
C28 N11 N12 . . 112.1(10) ?
C29 N12 N11 . . 118.7(10) ?
C29 N12 Pd2 . . 118.7(8) ?
N11 N12 Pd2 . . 122.5(8) ?
N14 N13 C31 . . 107.5(9) ?
N14 N13 Pd2 . . 141.1(7) ?
C31 N13 Pd2 . . 110.5(7) ?
N13 N14 C32 . . 105.0(9) ?
C31 N15 C32 . . 101.5(9) ?
C33 N16 N17 . . 116.8(10) ?
C36 N17 N16 . . 118.3(10) ?
C36 N18 C37 . . 124.5(11) ?
S10B O2 S10A . . 69.5(12) ?
C7 S1 Pd1 . . 95.3(4) ?
C15 S2 Pd2 . . 107.7(4) ?
C28 S3 Pd2 . . 95.3(4) ?
C36 S4 Pd1 . . 105.8(4) ?
O3 S5 C43 . . 110.5(13) ?
O3 S5 C44 . . 107.5(16) ?
C43 S5 C44 . . 96.2(14) ?
O1 S6 C101 . . 108.1(10) ?
O1 S6 C100 . . 99.8(12) ?
C101 S6 C100 . . 93.1(17) ?
O2 S10A C50A . . 109.3(14) ?
O2 S10A C51A . . 112.3(14) ?
C50A S10A C51A . . 96.7(13) ?
O2 S10B C51B . . 124.(2) ?
O2 S10B C50B . . 117.6(18) ?
C51B S10B C50B . . 94.7(19) ?

_database_code_depnum_ccdc_archive 'CCDC 997270'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_I
_chemical_name_systematic        ?
_chemical_name_common            P2
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H50 Cl4 N18 O3 Pt2 S7'
_chemical_formula_iupac          ?
_chemical_formula_weight         1659.44

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.6278(2)
_cell_length_b                   15.6060(2)
_cell_length_c                   15.6896(3)
_cell_angle_alpha                66.4360(10)
_cell_angle_beta                 81.7560(10)
_cell_angle_gamma                68.3050(10)
_cell_volume                     3050.39(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9979
_cell_measurement_theta_min      2.6616
_cell_measurement_theta_max      22.3389
_cell_measurement_temperature    296.(2)

_exptl_crystal_description       prismatic
_exptl_crystal_colour            'clear orange'
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1624

_exptl_absorpt_coefficient_mu    5.052
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_correction_T_min  0.83
_exptl_absorpt_correction_T_max  0.93

_exptl_special_details           
;
;

_diffrn_ambient_temperature      296.(2)

_diffrn_source                   ?
_diffrn_source_type              ?

_diffrn_radiation_type           ?
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            79411
_diffrn_reflns_av_R_equivalents  0.0728
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_theta_min         1.42
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_reflns_number_total             11149
_reflns_number_gt                7715
_reflns_threshold_expression     >2sigma(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0434
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1454
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_refine_ls_number_reflns         11149
_refine_ls_number_parameters     726
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0892P)²+0.0000P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.040
_refine_ls_shift/su_mean         0.001
_refine_diff_density_max         3.276
_refine_diff_density_min         -2.420
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
S S 0.1246 0.1234 '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'
Pt Pt -1.7033 8.3905 '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'

_computing_data_collection       'Bruker Instrument Service v2010.9.0.0'
_computing_cell_refinement       'SAINT V7.68A (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 1.0093(7) 0.3856(7) 0.7864(7) 0.045(2) Uani d . 1 . .
C C2 1.0072(7) 0.3886(8) 0.8732(7) 0.054(3) Uani d . 1 . .
H H2 0.949 0.4242 0.8946 0.065 Uiso calc R 1 . .
C C3 1.0903(8) 0.3393(8) 0.9290(7) 0.059(3) Uani d . 1 . .
H H3 1.0878 0.3405 0.9881 0.07 Uiso calc R 1 . .
C C4 1.1770(8) 0.2884(7) 0.8957(8) 0.055(3) Uani d . 1 . .
C C5 1.1810(7) 0.2895(8) 0.8089(8) 0.059(3) Uani d . 1 . .
H H5 1.2406 0.2582 0.7859 0.07 Uiso calc R 1 . .
C C6 1.0986(7) 0.3358(7) 0.7540(8) 0.054(3) Uani d . 1 . .
H H6 1.1022 0.3342 0.695 0.065 Uiso calc R 1 . .
C C7 0.8976(7) 0.4348(7) 0.6546(6) 0.042(2) Uani d . 1 . .
C C8 0.9861(6) 0.3792(6) 0.4596(6) 0.036(2) Uani d . 1 . .
C C9 1.0946(6) 0.3267(7) 0.4732(7) 0.047(2) Uani d . 1 . .
H H9A 1.1259 0.3739 0.4644 0.07 Uiso calc R 1 . .
H H9B 1.1198 0.2955 0.4289 0.07 Uiso calc R 1 . .
H H9C 1.1078 0.277 0.5351 0.07 Uiso calc R 1 . .
C C10 0.9341(7) 0.3994(6) 0.3778(6) 0.041(2) Uani d . 1 . .
C C11 0.8807(7) 0.4135(6) 0.2537(6) 0.039(2) Uani d . 1 . .
C C12 0.8722(7) 0.4018(7) 0.1672(6) 0.044(2) Uani d . 1 . .
C C13 0.7865(8) 0.4784(8) 0.1041(8) 0.063(3) Uani d . 1 . .
H H13A 0.7887 0.4638 0.0497 0.094 Uiso calc R 1 . .
H H13B 0.7904 0.5434 0.0859 0.094 Uiso calc R 1 . .
H H13C 0.726 0.4766 0.1364 0.094 Uiso calc R 1 . .
C C14 1.0356(6) 0.1673(7) 0.1954(6) 0.044(2) Uani d . 1 . .
C C15 1.0386(7) 0.0670(7) 0.1103(6) 0.043(2) Uani d . 1 . .
C C16 1.1321(8) 0.0255(8) 0.0839(7) 0.057(3) Uani d . 1 . .
H H16 1.1761 0.0595 0.0699 0.068 Uiso calc R 1 . .
C C17 1.1621(8) -0.0679(9) 0.0778(8) 0.062(3) Uani d . 1 . .
H H17 1.2263 -0.0971 0.0614 0.074 Uiso calc R 1 . .
C C18 1.0964(8) -0.1149(7) 0.0962(7) 0.050(2) Uani d . 1 . .
C C19 1.0031(8) -0.0744(7) 0.1206(7) 0.053(3) Uani d . 1 . .
H H19 0.9587 -0.1077 0.1318 0.064 Uiso calc R 1 . .
C C20 0.9735(7) 0.0172(8) 0.1291(7) 0.053(2) Uani d . 1 . .
H H20 0.9096 0.0448 0.1474 0.063 Uiso calc R 1 . .
C C21 1.2204(7) 0.0361(6) 0.5643(6) 0.040(2) Uani d . 1 . .
C C22 1.3205(7) -0.0063(6) 0.7024(6) 0.043(2) Uani d . 1 . .
C C23 1.2483(7) 0.0390(7) 0.7566(7) 0.052(2) Uani d . 1 . .
H H23 1.1836 0.0736 0.7355 0.062 Uiso calc R 1 . .
C C24 1.2747(8) 0.0313(9) 0.8406(8) 0.063(3) Uani d . 1 . .
H H24 1.2284 0.0651 0.8739 0.076 Uiso calc R 1 . .
C C25 1.3670(8) -0.0246(8) 0.8762(7) 0.055(3) Uani d . 1 . .
C C26 1.4403(7) -0.0686(7) 0.8216(7) 0.050(2) Uani d . 1 . .
H H26 1.5047 -0.1033 0.8432 0.06 Uiso calc R 1 . .
C C27 1.4154(7) -0.0594(7) 0.7384(7) 0.051(2) Uani d . 1 . .
H H27 1.4634 -0.0897 0.7037 0.061 Uiso calc R 1 . .
C C28 0.9691(6) 0.1509(6) 0.5543(6) 0.037(2) Uani d . 1 . .
C C29 0.9371(7) 0.1749(7) 0.6384(6) 0.048(2) Uani d . 1 . .
H H29A 0.9353 0.1159 0.6902 0.072 Uiso calc R 1 . .
H H29B 0.8727 0.2249 0.628 0.072 Uiso calc R 1 . .
H H29C 0.9826 0.1994 0.6515 0.072 Uiso calc R 1 . .
C C30 0.8999(7) 0.1772(6) 0.4801(6) 0.040(2) Uani d . 1 . .
C C31 0.7867(6) 0.2312(6) 0.3853(7) 0.039(2) Uani d . 1 . .
C C32 0.6925(6) 0.2881(6) 0.3343(7) 0.040(2) Uani d . 1 . .
C C33 0.6768(8) 0.2579(8) 0.2605(8) 0.066(3) Uani d . 1 . .
H H33A 0.6497 0.2054 0.2876 0.099 Uiso calc R 1 . .
H H33B 0.7386 0.2347 0.2318 0.099 Uiso calc R 1 . .
H H33C 0.6321 0.3139 0.2145 0.099 Uiso calc R 1 . .
C C34 0.5953(6) 0.4951(7) 0.3900(6) 0.044(2) Uani d . 1 . .
C C35 0.4856(7) 0.6557(7) 0.2905(7) 0.046(2) Uani d . 1 . .
C C36 0.3885(7) 0.7016(8) 0.3046(8) 0.063(3) Uani d . 1 . .
H H36 0.3484 0.664 0.3344 0.075 Uiso calc R 1 . .
C C37 0.3501(7) 0.8042(8) 0.2746(8) 0.060(3) Uani d . 1 . .
H H37 0.284 0.8351 0.2847 0.072 Uiso calc R 1 . .
C C38 0.4068(7) 0.8604(7) 0.2306(8) 0.054(3) Uani d . 1 . .
C C39 0.5050(7) 0.8136(8) 0.2137(8) 0.063(3) Uani d . 1 . .
H H39 0.5446 0.8514 0.1822 0.076 Uiso calc R 1 . .
C C40 0.5430(7) 0.7131(7) 0.2431(7) 0.057(3) Uani d . 1 . .
H H40 0.6086 0.6823 0.2312 0.069 Uiso calc R 1 . .
C C41 0.5397(9) 0.2078(9) 0.5287(10) 0.088(4) Uani d . 1 . .
H H41A 0.6094 0.1737 0.5371 0.132 Uiso calc R 1 . .
H H41B 0.5134 0.2299 0.579 0.132 Uiso calc R 1 . .
H H41C 0.5269 0.2642 0.4709 0.132 Uiso calc R 1 . .
C C42 0.3634(9) 0.2119(10) 0.5138(12) 0.105(5) Uani d . 1 . .
H H42A 0.3606 0.2759 0.4678 0.157 Uiso calc R 1 . .
H H42B 0.3399 0.2185 0.572 0.157 Uiso calc R 1 . .
H H42C 0.3228 0.1866 0.4944 0.157 Uiso calc R 1 . .
C C43 0.3601(15) 0.6008(14) 0.0205(14) 0.167(9) Uani d . 1 . .
H H43A 0.4094 0.5825 -0.0226 0.25 Uiso calc R 1 . .
H H43B 0.3075 0.6599 -0.0129 0.25 Uiso calc R 1 . .
H H43C 0.3348 0.5477 0.0535 0.25 Uiso calc R 1 . .
C C44 0.495(2) 0.6786(19) 0.0163(17) 0.240(14) Uani d . 1 . .
H H44A 0.5412 0.6861 0.0483 0.36 Uiso calc R 1 . .
H H44B 0.4575 0.7426 -0.027 0.36 Uiso calc R 1 . .
H H44C 0.5303 0.6358 -0.0167 0.36 Uiso calc R 1 . .
C C45 0.3911(11) 0.3276(13) 0.2407(14) 0.136(7) Uani d . 1 . .
H H45A 0.4167 0.3415 0.1786 0.205 Uiso calc R 1 . .
H H45B 0.4229 0.2586 0.2781 0.205 Uiso calc R 1 . .
H H45C 0.4034 0.3684 0.2669 0.205 Uiso calc R 1 . .
C C46 0.2590(19) 0.2680(16) 0.2101(17) 0.197(11) Uani d . 1 . .
H H46A 0.1921 0.2864 0.1925 0.295 Uiso calc R 1 . .
H H46B 0.277 0.2057 0.2623 0.295 Uiso calc R 1 . .
H H46C 0.3016 0.2614 0.1588 0.295 Uiso calc R 1 . .
Cl Cl1 1.2817(2) 0.2278(3) 0.9666(2) 0.0864(10) Uani d . 1 . .
Cl Cl2 1.1325(3) -0.2307(2) 0.0856(3) 0.0884(10) Uani d . 1 . .
Cl Cl3 1.3986(2) -0.0354(3) 0.9831(2) 0.0843(10) Uani d . 1 . .
Cl Cl4 0.3603(2) 0.9878(2) 0.1959(2) 0.0752(8) Uani d . 1 . .
N N1 0.9204(5) 0.4311(5) 0.7371(5) 0.0451(19) Uani d . 1 . .
H H1 0.8717 0.4621 0.7638 0.054 Uiso calc R 1 . .
N N2 0.9665(5) 0.4022(5) 0.5996(5) 0.0421(18) Uani d . 1 . .
N N3 0.9275(5) 0.4135(5) 0.5189(5) 0.0366(17) Uani d . 1 . .
N N4 0.8372(5) 0.4531(5) 0.3715(5) 0.0374(17) Uani d . 1 . .
N N5 0.8036(5) 0.4644(5) 0.2905(5) 0.0425(18) Uani d . 1 . .
N N6 0.9655(5) 0.3706(5) 0.3056(5) 0.0410(17) Uani d . 1 . .
N N7 0.9255(6) 0.3301(5) 0.1432(5) 0.0468(19) Uani d . 1 . .
N N8 1.0010(5) 0.2553(5) 0.2043(5) 0.0459(19) Uani d . 1 . .
N N9 1.0103(6) 0.1594(6) 0.1225(5) 0.052(2) Uani d . 1 . .
H H9 0.975 0.2125 0.08 0.062 Uiso calc R 1 . .
N N10 1.3039(5) -0.0013(5) 0.6161(5) 0.0453(19) Uani d . 1 . .
H H10 1.3565 -0.0268 0.5894 0.054 Uiso calc R 1 . .
N N11 1.1347(5) 0.0732(5) 0.5983(5) 0.0395(17) Uani d . 1 . .
N N12 1.0592(5) 0.1047(5) 0.5360(5) 0.0369(17) Uani d . 1 . .
N N13 0.9366(5) 0.1467(5) 0.4103(5) 0.0420(18) Uani d . 1 . .
N N14 0.8630(5) 0.1798(5) 0.3497(5) 0.0393(17) Uani d . 1 . .
N N15 0.8038(5) 0.2323(5) 0.4683(5) 0.0398(17) Uani d . 1 . .
N N16 0.6274(5) 0.3666(5) 0.3406(5) 0.0454(19) Uani d . 1 . .
N N17 0.6419(5) 0.3989(5) 0.4067(5) 0.0408(17) Uani d . 1 . .
N N18 0.5271(5) 0.5502(5) 0.3227(6) 0.049(2) Uani d . 1 . .
H H18 0.5073 0.52 0.2976 0.059 Uiso calc R 1 . .
O O1 0.5129(6) 0.1212(7) 0.4332(6) 0.089(3) Uani d . 1 . .
O O2 0.4828(8) 0.5274(7) 0.1536(9) 0.139(5) Uani d . 1 . .
Pt Pt1 0.78372(2) 0.47580(2) 0.49023(2) 0.03692(12) Uani d . 1 . .
Pt Pt2 1.08469(2) 0.08718(2) 0.41423(2) 0.03882(12) Uani d . 1 . .
S S1 0.76910(17) 0.48169(19) 0.63334(18) 0.0477(6) Uani d . 1 . .
S S2 0.61833(17) 0.54838(19) 0.45877(19) 0.0515(6) Uani d . 1 . .
S S3 1.24415(18) 0.02609(19) 0.45545(18) 0.0524(6) Uani d . 1 . .
S S4 1.11438(19) 0.06425(19) 0.27676(19) 0.0541(7) Uani d . 1 . .
S S5 0.4856(2) 0.1292(2) 0.5271(2) 0.0767(9) Uani d . 1 . .
S S6 0.4126(4) 0.6238(4) 0.1004(4) 0.1409(19) Uani d . 1 . .
S S7 0.2694(4) 0.3524(4) 0.2379(6) 0.180(3) Uani d . 1 . .
O O3 0.2244(8) 0.4574(8) 0.1642(8) 0.110(3) Uiso d . 1 . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.377(14) ?
C1 C6 . 1.394(13) ?
C1 N1 . 1.400(11) ?
C2 C3 . 1.383(14) ?
C2 H2 . 0.93 ?
C3 C4 . 1.383(15) ?
C3 H3 . 0.93 ?
C4 C5 . 1.349(15) ?
C4 Cl1 . 1.748(9) ?
C5 C6 . 1.368(13) ?
C5 H5 . 0.93 ?
C6 H6 . 0.93 ?
C7 N2 . 1.319(12) ?
C7 N1 . 1.357(11) ?
C7 S1 . 1.774(9) ?
C8 N3 . 1.310(11) ?
C8 C10 . 1.451(12) ?
C8 C9 . 1.494(11) ?
C9 H9A . 0.96 ?
C9 H9B . 0.96 ?
C9 H9C . 0.96 ?
C10 N6 . 1.341(12) ?
C10 N4 . 1.348(11) ?
C11 N5 . 1.323(11) ?
C11 N6 . 1.375(11) ?
C11 C12 . 1.468(13) ?
C12 N7 . 1.269(11) ?
C12 C13 . 1.511(13) ?
C13 H13A . 0.96 ?
C13 H13B . 0.96 ?
C13 H13C . 0.96 ?
C14 N9 . 1.314(11) ?
C14 N8 . 1.334(11) ?
C14 S4 . 1.719(9) ?
C15 C16 . 1.363(13) ?
C15 C20 . 1.372(13) ?
C15 N9 . 1.430(11) ?
C16 C17 . 1.397(14) ?
C16 H16 . 0.93 ?
C17 C18 . 1.348(14) ?
C17 H17 . 0.93 ?
C18 C19 . 1.348(14) ?
C18 Cl2 . 1.755(9) ?
C19 C20 . 1.388(13) ?
C19 H19 . 0.93 ?
C20 H20 . 0.93 ?
C21 N11 . 1.308(11) ?
C21 N10 . 1.368(11) ?
C21 S3 . 1.750(10) ?
C22 N10 . 1.376(11) ?
C22 C27 . 1.391(12) ?
C22 C23 . 1.418(13) ?
C23 C24 . 1.372(14) ?
C23 H23 . 0.93 ?
C24 C25 . 1.361(14) ?
C24 H24 . 0.93 ?
C25 C26 . 1.420(14) ?
C25 Cl3 . 1.730(10) ?
C26 C27 . 1.343(13) ?
C26 H26 . 0.93 ?
C27 H27 . 0.93 ?
C28 N12 . 1.302(11) ?
C28 C29 . 1.479(12) ?
C28 C30 . 1.482(12) ?
C29 H29A . 0.96 ?
C29 H29B . 0.96 ?
C29 H29C . 0.96 ?
C30 N13 . 1.332(11) ?
C30 N15 . 1.343(11) ?
C31 N14 . 1.312(11) ?
C31 N15 . 1.369(11) ?
C31 C32 . 1.472(11) ?
C32 N16 . 1.275(10) ?
C32 C33 . 1.487(13) ?
C33 H33A . 0.96 ?
C33 H33B . 0.96 ?
C33 H33C . 0.96 ?
C34 N17 . 1.330(11) ?
C34 N18 . 1.339(11) ?
C34 S2 . 1.731(9) ?
C35 C36 . 1.365(13) ?
C35 C40 . 1.380(13) ?
C35 N18 . 1.421(11) ?
C36 C37 . 1.382(14) ?
C36 H36 . 0.93 ?
C37 C38 . 1.350(13) ?
C37 H37 . 0.93 ?
C38 C39 . 1.391(13) ?
C38 Cl4 . 1.719(10) ?
C39 C40 . 1.354(13) ?
C39 H39 . 0.93 ?
C40 H40 . 0.93 ?
C41 S5 . 1.697(13) ?
C41 H41A . 0.96 ?
C41 H41B . 0.96 ?
C41 H41C . 0.96 ?
C42 S5 . 1.758(12) ?
C42 H42A . 0.96 ?
C42 H42B . 0.96 ?
C42 H42C . 0.96 ?
C43 S6 . 1.769(16) ?
C43 H43A . 0.96 ?
C43 H43B . 0.96 ?
C43 H43C . 0.96 ?
C44 S6 . 1.83(2) ?
C44 H44A . 0.96 ?
C44 H44B . 0.96 ?
C44 H44C . 0.96 ?
C45 S7 . 1.680(15) ?
C45 H45A . 0.96 ?
C45 H45B . 0.96 ?
C45 H45C . 0.96 ?
C46 S7 . 1.605(18) ?
C46 H46A . 0.96 ?
C46 H46B . 0.96 ?
C46 H46C . 0.96 ?
N1 H1 . 0.86 ?
N2 N3 . 1.384(10) ?
N3 Pt1 . 1.995(7) ?
N4 N5 . 1.350(10) ?
N4 Pt1 . 2.028(7) ?
N7 N8 . 1.399(10) ?
N9 H9 . 0.86 ?
N10 H10 . 0.86 ?
N11 N12 . 1.393(9) ?
N12 Pt2 . 2.000(7) ?
N13 N14 . 1.348(9) ?
N13 Pt2 . 2.016(7) ?
N16 N17 . 1.390(10) ?
N18 H18 . 0.86 ?
O1 S5 . 1.513(9) ?
O2 S6 . 1.454(10) ?
Pt1 S1 . 2.260(3) ?
Pt1 S2 . 2.291(2) ?
Pt2 S3 . 2.250(2) ?
Pt2 S4 . 2.281(3) ?
S7 O3 . 1.538(12) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 118.3(9) ?
C2 C1 N1 . . 117.5(9) ?
C6 C1 N1 . . 124.2(9) ?
C1 C2 C3 . . 121.0(10) ?
C1 C2 H2 . . 119.5 ?
C3 C2 H2 . . 119.5 ?
C4 C3 C2 . . 119.0(10) ?
C4 C3 H3 . . 120.5 ?
C2 C3 H3 . . 120.5 ?
C5 C4 C3 . . 120.2(9) ?
C5 C4 Cl1 . . 121.2(9) ?
C3 C4 Cl1 . . 118.5(9) ?
C4 C5 C6 . . 121.1(10) ?
C4 C5 H5 . . 119.5 ?
C6 C5 H5 . . 119.5 ?
C5 C6 C1 . . 120.1(10) ?
C5 C6 H6 . . 119.9 ?
C1 C6 H6 . . 119.9 ?
N2 C7 N1 . . 121.4(8) ?
N2 C7 S1 . . 125.3(7) ?
N1 C7 S1 . . 113.2(7) ?
N3 C8 C10 . . 112.5(8) ?
N3 C8 C9 . . 124.2(8) ?
C10 C8 C9 . . 123.3(8) ?
C8 C9 H9A . . 109.5 ?
C8 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C8 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
N6 C10 N4 . . 112.0(8) ?
N6 C10 C8 . . 130.7(8) ?
N4 C10 C8 . . 117.2(8) ?
N5 C11 N6 . . 114.1(8) ?
N5 C11 C12 . . 121.4(8) ?
N6 C11 C12 . . 124.4(8) ?
N7 C12 C11 . . 126.5(8) ?
N7 C12 C13 . . 116.6(9) ?
C11 C12 C13 . . 116.7(9) ?
C12 C13 H13A . . 109.5 ?
C12 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C12 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
N9 C14 N8 . . 119.6(8) ?
N9 C14 S4 . . 119.3(7) ?
N8 C14 S4 . . 121.2(7) ?
C16 C15 C20 . . 119.4(9) ?
C16 C15 N9 . . 120.1(8) ?
C20 C15 N9 . . 120.4(9) ?
C15 C16 C17 . . 120.4(9) ?
C15 C16 H16 . . 119.8 ?
C17 C16 H16 . . 119.8 ?
C18 C17 C16 . . 118.9(10) ?
C18 C17 H17 . . 120.6 ?
C16 C17 H17 . . 120.6 ?
C17 C18 C19 . . 121.8(9) ?
C17 C18 Cl2 . . 119.2(8) ?
C19 C18 Cl2 . . 119.0(8) ?
C18 C19 C20 . . 119.6(9) ?
C18 C19 H19 . . 120.2 ?
C20 C19 H19 . . 120.2 ?
C15 C20 C19 . . 119.9(9) ?
C15 C20 H20 . . 120.0 ?
C19 C20 H20 . . 120.0 ?
N11 C21 N10 . . 119.9(8) ?
N11 C21 S3 . . 127.3(7) ?
N10 C21 S3 . . 112.8(7) ?
N10 C22 C27 . . 117.3(9) ?
N10 C22 C23 . . 124.8(8) ?
C27 C22 C23 . . 117.9(9) ?
C24 C23 C22 . . 119.4(9) ?
C24 C23 H23 . . 120.3 ?
C22 C23 H23 . . 120.3 ?
C25 C24 C23 . . 121.6(10) ?
C25 C24 H24 . . 119.2 ?
C23 C24 H24 . . 119.2 ?
C24 C25 C26 . . 119.2(9) ?
C24 C25 Cl3 . . 121.1(9) ?
C26 C25 Cl3 . . 119.5(8) ?
C27 C26 C25 . . 119.2(9) ?
C27 C26 H26 . . 120.4 ?
C25 C26 H26 . . 120.4 ?
C26 C27 C22 . . 122.4(10) ?
C26 C27 H27 . . 118.8 ?
C22 C27 H27 . . 118.8 ?
N12 C28 C29 . . 125.3(8) ?
N12 C28 C30 . . 111.8(8) ?
C29 C28 C30 . . 122.9(8) ?
C28 C29 H29A . . 109.5 ?
C28 C29 H29B . . 109.5 ?
H29A C29 H29B . . 109.5 ?
C28 C29 H29C . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
N13 C30 N15 . . 112.2(8) ?
N13 C30 C28 . . 117.4(8) ?
N15 C30 C28 . . 130.3(8) ?
N14 C31 N15 . . 115.0(7) ?
N14 C31 C32 . . 120.8(8) ?
N15 C31 C32 . . 124.0(8) ?
N16 C32 C31 . . 126.5(8) ?
N16 C32 C33 . . 116.4(8) ?
C31 C32 C33 . . 116.7(8) ?
C32 C33 H33A . . 109.5 ?
C32 C33 H33B . . 109.5 ?
H33A C33 H33B . . 109.5 ?
C32 C33 H33C . . 109.5 ?
H33A C33 H33C . . 109.5 ?
H33B C33 H33C . . 109.5 ?
N17 C34 N18 . . 120.1(8) ?
N17 C34 S2 . . 120.1(6) ?
N18 C34 S2 . . 119.7(7) ?
C36 C35 C40 . . 119.2(9) ?
C36 C35 N18 . . 120.7(9) ?
C40 C35 N18 . . 120.1(8) ?
C35 C36 C37 . . 119.8(10) ?
C35 C36 H36 . . 120.1 ?
C37 C36 H36 . . 120.1 ?
C38 C37 C36 . . 121.1(9) ?
C38 C37 H37 . . 119.4 ?
C36 C37 H37 . . 119.4 ?
C37 C38 C39 . . 119.0(9) ?
C37 C38 Cl4 . . 121.3(8) ?
C39 C38 Cl4 . . 119.7(8) ?
C40 C39 C38 . . 120.1(10) ?
C40 C39 H39 . . 120.0 ?
C38 C39 H39 . . 120.0 ?
C39 C40 C35 . . 120.7(9) ?
C39 C40 H40 . . 119.6 ?
C35 C40 H40 . . 119.6 ?
S5 C41 H41A . . 109.5 ?
S5 C41 H41B . . 109.5 ?
H41A C41 H41B . . 109.5 ?
S5 C41 H41C . . 109.5 ?
H41A C41 H41C . . 109.5 ?
H41B C41 H41C . . 109.5 ?
S5 C42 H42A . . 109.5 ?
S5 C42 H42B . . 109.5 ?
H42A C42 H42B . . 109.5 ?
S5 C42 H42C . . 109.5 ?
H42A C42 H42C . . 109.5 ?
H42B C42 H42C . . 109.5 ?
S6 C43 H43A . . 109.5 ?
S6 C43 H43B . . 109.5 ?
H43A C43 H43B . . 109.5 ?
S6 C43 H43C . . 109.5 ?
H43A C43 H43C . . 109.5 ?
H43B C43 H43C . . 109.5 ?
S6 C44 H44A . . 109.5 ?
S6 C44 H44B . . 109.5 ?
H44A C44 H44B . . 109.5 ?
S6 C44 H44C . . 109.5 ?
H44A C44 H44C . . 109.5 ?
H44B C44 H44C . . 109.5 ?
S7 C45 H45A . . 109.5 ?
S7 C45 H45B . . 109.5 ?
H45A C45 H45B . . 109.5 ?
S7 C45 H45C . . 109.5 ?
H45A C45 H45C . . 109.5 ?
H45B C45 H45C . . 109.5 ?
S7 C46 H46A . . 109.5 ?
S7 C46 H46B . . 109.5 ?
H46A C46 H46B . . 109.5 ?
S7 C46 H46C . . 109.5 ?
H46A C46 H46C . . 109.5 ?
H46B C46 H46C . . 109.5 ?
C7 N1 C1 . . 131.3(8) ?
C7 N1 H1 . . 114.4 ?
C1 N1 H1 . . 114.4 ?
C7 N2 N3 . . 112.0(7) ?
C8 N3 N2 . . 119.4(7) ?
C8 N3 Pt1 . . 117.8(6) ?
N2 N3 Pt1 . . 122.8(6) ?
C10 N4 N5 . . 107.8(7) ?
C10 N4 Pt1 . . 112.3(6) ?
N5 N4 Pt1 . . 139.2(6) ?
C11 N5 N4 . . 104.8(7) ?
C10 N6 C11 . . 101.3(7) ?
C12 N7 N8 . . 117.1(7) ?
C14 N8 N7 . . 116.6(7) ?
C14 N9 C15 . . 123.4(8) ?
C14 N9 H9 . . 118.3 ?
C15 N9 H9 . . 118.3 ?
C21 N10 C22 . . 132.8(8) ?
C21 N10 H10 . . 113.6 ?
C22 N10 H10 . . 113.6 ?
C21 N11 N12 . . 110.9(7) ?
C28 N12 N11 . . 120.0(7) ?
C28 N12 Pt2 . . 117.7(6) ?
N11 N12 Pt2 . . 122.2(5) ?
C30 N13 N14 . . 108.2(7) ?
C30 N13 Pt2 . . 112.6(6) ?
N14 N13 Pt2 . . 138.2(6) ?
C31 N14 N13 . . 104.1(7) ?
C30 N15 C31 . . 100.4(7) ?
C32 N16 N17 . . 117.7(7) ?
C34 N17 N16 . . 115.4(7) ?
C34 N18 C35 . . 123.4(8) ?
C34 N18 H18 . . 118.3 ?
C35 N18 H18 . . 118.3 ?
N3 Pt1 N4 . . 79.4(3) ?
N3 Pt1 S1 . . 84.6(2) ?
N4 Pt1 S1 . . 164.0(2) ?
N3 Pt1 S2 . . 179.2(2) ?
N4 Pt1 S2 . . 101.3(2) ?
S1 Pt1 S2 . . 94.69(9) ?
N12 Pt2 N13 . . 79.9(3) ?
N12 Pt2 S3 . . 84.6(2) ?
N13 Pt2 S3 . . 164.5(2) ?
N12 Pt2 S4 . . 178.98(19) ?
N13 Pt2 S4 . . 100.4(2) ?
S3 Pt2 S4 . . 95.07(9) ?
C7 S1 Pt1 . . 95.0(3) ?
C34 S2 Pt1 . . 105.8(3) ?
C21 S3 Pt2 . . 94.8(3) ?
C14 S4 Pt2 . . 107.2(3) ?
O1 S5 C41 . . 103.9(6) ?
O1 S5 C42 . . 104.8(7) ?
C41 S5 C42 . . 97.5(6) ?
O2 S6 C43 . . 104.6(8) ?
O2 S6 C44 . . 100.1(11) ?
C43 S6 C44 . . 95.2(12) ?
O3 S7 C46 . . 112.3(11) ?
O3 S7 C45 . . 107.4(8) ?
C46 S7 C45 . . 104.9(12) ?

_database_code_depnum_ccdc_archive 'CCDC 997271'
