# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1461798'
_audit_update_record             
;
2016-03-09 deposited with the CCDC.
2017-11-13 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT029_2                   
;
PROBLEM: _diffrn_measured_fraction_theta_full Low .......      0.907 Note  
RESPONSE: A full description of data collection and processing is given 
in the Supporting Material. Overlap from a second twin component, which 
was not successfully deconvolved, led to the use of HKLF 4 data with 90% 
completeness.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        'Compound 2'
_chemical_name_common            'local reference Estr. 1031 "Pt4Ag2"'
_chemical_melting_point          ?
_chemical_formula_moiety         
;
C48 H4 Ag2 Cl40 O4 Pt4, 2(C6 H6), 4(H2 O)
;
_chemical_formula_sum            'C60 H24 Ag2 Cl40 O8 Pt4'
_chemical_formula_weight         3286.89

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'
O O 0.0106 0.0060 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'

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

_cell_length_a                   16.8782(5)
_cell_length_b                   17.9950(7)
_cell_length_c                   31.0107(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9418.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(1)
_cell_measurement_reflns_used    4390
_cell_measurement_theta_min      2.6420
_cell_measurement_theta_max      26.6660

_exptl_crystal_description       lath
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    2.318
_exptl_crystal_F_000             6136
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.122
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.028
_exptl_absorpt_coefficient_mu    7.509
_shelx_estimated_absorpt_T_min   0.461
_shelx_estimated_absorpt_T_max   0.817
_exptl_absorpt_correction_T_min  0.470
_exptl_absorpt_correction_T_max  0.817
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Multi-scan absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   
;
Both numerical and multi-scan corrections were applied.
;
_diffrn_ambient_temperature      150(1)
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Sapphire3
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            31555
_diffrn_reflns_av_unetI/netI     0.2335
_diffrn_reflns_av_R_equivalents  0.1394
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         4.169
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.880
_diffrn_measured_fraction_theta_full 0.907
_diffrn_reflns_Laue_measured_fraction_max 0.880
_diffrn_reflns_Laue_measured_fraction_full 0.907
_diffrn_reflns_point_group_measured_fraction_max 0.880
_diffrn_reflns_point_group_measured_fraction_full 0.907
_reflns_number_total             9533
_reflns_number_gt                3599
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         .
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    
;
Sheldrick, G. M. (2015). Acta Cryst. A71, 3-8.
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    
;
Diamond v3.2k
Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany. 
;
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          'disordered solvent in channels'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=exp[3.0000(sinθ/λ)²)]/[σ²(Fo²)+(0.0300P)²] 
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     iterative
_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         9533
_refine_ls_number_parameters     587
_refine_ls_number_restraints     846
_refine_ls_R_factor_all          0.1795
_refine_ls_R_factor_gt           0.0575
_refine_ls_wR_factor_ref         0.1213
_refine_ls_wR_factor_gt          0.0975
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.2500 0.2500 0.42661(2) 0.02074(17) Uani 1 2 d S TU P . .
Pt2 Pt 0.24410(4) 0.08561(3) 0.38314(2) 0.02296(14) Uani 1 1 d . U . . .
Pt3 Pt 0.2500 0.2500 0.31762(2) 0.02101(18) Uani 1 2 d S TU P . .
Ag1 Ag 0.13901(7) 0.12823(7) 0.32158(4) 0.0326(3) Uani 1 1 d . U . . .
O1 O 0.1790(6) 0.1625(5) 0.4186(3) 0.0273(18) Uani 1 1 d . U . . .
O2 O 0.3016(5) 0.1919(5) 0.3714(3) 0.0206(15) Uani 1 1 d . U . . .
C1 C 0.3064(9) 0.1889(8) 0.2730(4) 0.023(2) Uani 1 1 d . U . . .
C2 C 0.2684(9) 0.1411(8) 0.2429(4) 0.029(2) Uani 1 1 d . U . . .
C3 C 0.3121(10) 0.0927(9) 0.2180(5) 0.036(3) Uani 1 1 d . U . . .
C4 C 0.3923(11) 0.0916(10) 0.2188(5) 0.042(3) Uani 1 1 d . U . . .
C5 C 0.4330(10) 0.1391(9) 0.2464(5) 0.037(3) Uani 1 1 d . U . . .
C6 C 0.3877(9) 0.1842(8) 0.2735(4) 0.024(2) Uani 1 1 d . U . . .
Cl2 Cl 0.1655(2) 0.1415(2) 0.23837(12) 0.0382(10) Uani 1 1 d . U . . .
Cl3 Cl 0.2600(3) 0.0347(3) 0.18260(14) 0.0633(14) Uani 1 1 d . U . . .
Cl4 Cl 0.4450(3) 0.0336(3) 0.18509(17) 0.0682(16) Uani 1 1 d . U . . .
Cl5 Cl 0.5340(3) 0.1394(3) 0.24686(15) 0.0532(14) Uani 1 1 d . U . . .
Cl6 Cl 0.4445(2) 0.2404(3) 0.30887(10) 0.0305(9) Uani 1 1 d . U . . .
C7 C 0.3084(9) 0.1897(8) 0.4741(4) 0.021(2) Uani 1 1 d . U . . .
C8 C 0.2664(9) 0.1500(9) 0.5050(4) 0.038(3) Uani 1 1 d . U . . .
C9 C 0.3104(10) 0.0999(10) 0.5319(5) 0.040(4) Uani 1 1 d . U . . .
C10 C 0.3905(11) 0.0954(10) 0.5303(5) 0.043(4) Uani 1 1 d . U . . .
C11 C 0.4326(10) 0.1359(9) 0.4992(5) 0.038(3) Uani 1 1 d . U . . .
C12 C 0.3924(9) 0.1828(8) 0.4706(4) 0.028(3) Uani 1 1 d . U . . .
Cl8 Cl 0.1683(2) 0.1544(2) 0.51269(12) 0.0387(10) Uani 1 1 d . U . . .
Cl9 Cl 0.2587(3) 0.0464(3) 0.56860(14) 0.0644(14) Uani 1 1 d . U . . .
Cl10 Cl 0.4423(3) 0.0391(3) 0.56481(16) 0.0626(16) Uani 1 1 d . U . . .
Cl11 Cl 0.5340(3) 0.1327(3) 0.49766(15) 0.0540(13) Uani 1 1 d . U . . .
Cl12 Cl 0.4473(2) 0.2309(2) 0.43345(11) 0.0286(10) Uani 1 1 d . U . . .
C13 C 0.3051(9) 0.0173(8) 0.3428(5) 0.029(2) Uani 1 1 d . U . . .
C14 C 0.2677(9) -0.0319(8) 0.3141(5) 0.034(3) Uani 1 1 d . U . . .
C15 C 0.3092(10) -0.0796(10) 0.2867(5) 0.038(3) Uani 1 1 d . U . . .
C16 C 0.3924(10) -0.0805(10) 0.2887(5) 0.040(3) Uani 1 1 d . U . . .
C17 C 0.4311(9) -0.0316(9) 0.3170(5) 0.033(3) Uani 1 1 d . U . . .
C18 C 0.3852(9) 0.0158(8) 0.3439(4) 0.024(2) Uani 1 1 d . U . . .
Cl14 Cl 0.1650(3) -0.0316(2) 0.30803(13) 0.0418(11) Uani 1 1 d . U . . .
Cl15 Cl 0.2613(3) -0.1396(3) 0.25304(14) 0.0612(14) Uani 1 1 d . U . . .
Cl16 Cl 0.4461(3) -0.1402(3) 0.25743(16) 0.0571(15) Uani 1 1 d . U . . .
Cl17 Cl 0.5330(3) -0.0300(3) 0.31789(15) 0.0445(11) Uani 1 1 d . U . . .
Cl18 Cl 0.4391(2) 0.0739(2) 0.37771(13) 0.0317(10) Uani 1 1 d . U . . .
C19 C 0.1824(9) 0.0062(8) 0.4089(5) 0.029(2) Uani 1 1 d . U . . .
C20 C 0.0991(9) 0.0034(9) 0.4114(5) 0.029(3) Uani 1 1 d . U . . .
C21 C 0.0552(10) -0.0423(10) 0.4385(5) 0.038(3) Uani 1 1 d . U . . .
C22 C 0.0944(11) -0.0913(10) 0.4655(5) 0.044(4) Uani 1 1 d . U . . .
C23 C 0.1755(10) -0.0942(9) 0.4664(5) 0.039(3) Uani 1 1 d . U . . .
C24 C 0.2188(10) -0.0454(10) 0.4393(5) 0.040(4) Uani 1 1 d . U . . .
Cl20 Cl 0.0435(2) 0.0685(2) 0.38192(13) 0.0306(9) Uani 1 1 d . U . . .
Cl21 Cl -0.0463(3) -0.0388(3) 0.43907(16) 0.0551(15) Uani 1 1 d . U . . .
Cl22 Cl 0.0421(3) -0.1510(3) 0.49776(18) 0.0697(18) Uani 1 1 d . U . . .
Cl23 Cl 0.2266(3) -0.1520(3) 0.49988(16) 0.0663(16) Uani 1 1 d . U . . .
Cl24 Cl 0.3217(3) -0.0429(3) 0.44300(14) 0.0453(12) Uani 1 1 d . U . . .
C25 C 0.6430(11) 0.1685(13) 0.3502(7) 0.067(5) Uani 1 1 d . U . . .
H25 H 0.6414 0.1230 0.3346 0.080 Uiso 1 1 calc R U . . .
C26 C 0.6417(10) 0.2381(12) 0.3280(6) 0.061(4) Uani 1 1 d . U . . .
H26 H 0.6448 0.2401 0.2974 0.073 Uiso 1 1 calc R U . . .
C27 C 0.6357(12) 0.3028(13) 0.3524(7) 0.072(6) Uani 1 1 d . U . . .
H27 H 0.6313 0.3489 0.3377 0.087 Uiso 1 1 calc R U . . .
C28 C 0.6358(11) 0.3035(13) 0.3932(7) 0.065(5) Uani 1 1 d . U . . .
H28 H 0.6317 0.3483 0.4093 0.078 Uiso 1 1 calc R U . . .
C29 C 0.6426(11) 0.2322(12) 0.4137(7) 0.062(5) Uani 1 1 d . U . . .
H29 H 0.6444 0.2299 0.4443 0.075 Uiso 1 1 calc R U . . .
C30 C 0.6464(11) 0.1688(13) 0.3911(7) 0.063(5) Uani 1 1 d . U . . .
H30 H 0.6519 0.1230 0.4061 0.076 Uiso 1 1 calc R U . . .
O1W O 0.285(3) 0.243(4) 0.6331(17) 0.059(7) Uani 0.2 1 d . U P . .
O2W O 0.351(4) 0.261(4) 0.6284(18) 0.059(7) Uani 0.2 1 d . U P . .
O3W O 0.401(5) 0.239(4) 0.622(2) 0.060(7) Uani 0.2 1 d . U P . .
O4W O 0.448(4) 0.257(4) 0.637(2) 0.060(6) Uani 0.2 1 d . U P . .
O5W O 0.478(4) 0.236(4) 0.617(2) 0.060(7) Uani 0.2 1 d . U P . .
O6W O 0.532(5) 0.264(4) 0.630(2) 0.060(7) Uani 0.2 1 d . U P . .
O7W O 0.577(5) 0.241(4) 0.625(2) 0.061(7) Uani 0.2 1 d . U P . .
O8W O 0.623(5) 0.263(4) 0.625(2) 0.061(7) Uani 0.2 1 d . U P . .
O9W O 0.678(5) 0.227(3) 0.630(2) 0.061(7) Uani 0.2 1 d . U P . .
O10W O 0.723(3) 0.255(5) 0.6240(17) 0.060(7) Uani 0.2 1 d . 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 O1 1.994(10) 2 ?
Pt1 O1 1.994(10) . ?
Pt1 C7 2.077(13) . ?
Pt1 C7 2.077(13) 2 ?
Pt1 O2 2.187(8) . ?
Pt1 O2 2.187(8) 2 ?
Pt2 C19 1.941(15) . ?
Pt2 C13 2.033(15) . ?
Pt2 O1 2.080(10) . ?
Pt2 O2 2.175(9) . ?
Pt2 Ag1 2.7163(13) . ?
Pt3 C1 2.008(14) 2 ?
Pt3 C1 2.008(14) . ?
Pt3 O2 2.154(8) 2 ?
Pt3 O2 2.154(8) . ?
Pt3 Ag1 2.8855(12) . ?
Pt3 Ag1 2.8856(12) 2 ?
Ag1 Cl2 2.630(4) . ?
Ag1 Cl20 2.694(4) . ?
Ag1 Cl6 2.781(5) 2 ?
C1 C6 1.374(19) . ?
C1 C2 1.422(18) . ?
C2 C3 1.379(19) . ?
C2 Cl2 1.742(16) . ?
C3 C4 1.35(2) . ?
C3 Cl3 1.751(16) . ?
C4 C5 1.39(2) . ?
C4 Cl4 1.725(16) . ?
C5 C6 1.398(19) . ?
C5 Cl5 1.704(17) . ?
C6 Cl6 1.773(15) . ?
Cl6 Ag1 2.781(4) 2 ?
C7 C8 1.391(18) . ?
C7 C12 1.43(2) . ?
C8 C9 1.435(19) . ?
C8 Cl8 1.675(16) . ?
C9 C10 1.36(2) . ?
C9 Cl9 1.726(16) . ?
C10 C11 1.40(2) . ?
C10 Cl10 1.713(16) . ?
C11 C12 1.401(19) . ?
C11 Cl11 1.712(17) . ?
C12 Cl12 1.713(15) . ?
C13 C18 1.352(19) . ?
C13 C14 1.405(19) . ?
C14 C15 1.40(2) . ?
C14 Cl14 1.745(16) . ?
C15 C16 1.41(2) . ?
C15 Cl15 1.706(16) . ?
C16 C17 1.40(2) . ?
C16 Cl16 1.708(16) . ?
C17 C18 1.422(19) . ?
C17 Cl17 1.721(16) . ?
C18 Cl18 1.737(15) . ?
C19 C20 1.41(2) . ?
C19 C24 1.46(2) . ?
C20 C21 1.39(2) . ?
C20 Cl20 1.758(15) . ?
C21 C22 1.38(2) . ?
C21 Cl21 1.714(18) . ?
C22 C23 1.37(2) . ?
C22 Cl22 1.714(16) . ?
C23 C24 1.42(2) . ?
C23 Cl23 1.704(16) . ?
C24 Cl24 1.741(18) . ?
C25 C30 1.27(2) . ?
C25 C26 1.43(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.39(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.27(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.44(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.34(3) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
O1W O2W 1.17(7) . ?
O1W O1W 1.20(11) 2 ?
O2W O3W 0.94(7) . ?
O2W O4W 1.67(9) . ?
O3W O4W 0.98(7) . ?
O3W O5W 1.32(10) . ?
O4W O5W 0.90(7) . ?
O4W O6W 1.43(10) . ?
O5W O6W 1.12(8) . ?
O5W O7W 1.70(10) . ?
O6W O7W 0.88(7) . ?
O6W O8W 1.55(10) . ?
O7W O8W 0.87(7) . ?
O7W O9W 1.72(10) . ?
O8W O9W 1.13(7) . ?
O8W O10W 1.69(10) . ?
O9W O10W 0.93(8) . ?
O9W O10W 1.71(11) 2_655 ?
O10W O10W 0.92(10) 2_655 ?
O10W O9W 1.71(11) 2_655 ?

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 O1 165.6(5) 2 . ?
O1 Pt1 C7 102.5(5) 2 . ?
O1 Pt1 C7 87.8(5) . . ?
O1 Pt1 C7 87.8(5) 2 2 ?
O1 Pt1 C7 102.5(5) . 2 ?
C7 Pt1 C7 89.8(7) . 2 ?
O1 Pt1 O2 92.3(4) 2 . ?
O1 Pt1 O2 76.3(4) . . ?
C7 Pt1 O2 96.6(4) . . ?
C7 Pt1 O2 173.4(4) 2 . ?
O1 Pt1 O2 76.3(4) 2 2 ?
O1 Pt1 O2 92.3(4) . 2 ?
C7 Pt1 O2 173.4(4) . 2 ?
C7 Pt1 O2 96.6(4) 2 2 ?
O2 Pt1 O2 77.0(4) . 2 ?
C19 Pt2 C13 94.6(6) . . ?
C19 Pt2 O1 89.4(5) . . ?
C13 Pt2 O1 173.8(5) . . ?
C19 Pt2 O2 162.9(5) . . ?
C13 Pt2 O2 101.7(5) . . ?
O1 Pt2 O2 74.9(4) . . ?
C19 Pt2 Ag1 98.5(4) . . ?
C13 Pt2 Ag1 94.0(4) . . ?
O1 Pt2 Ag1 80.7(2) . . ?
O2 Pt2 Ag1 85.8(2) . . ?
C1 Pt3 C1 92.8(8) 2 . ?
C1 Pt3 O2 94.4(4) 2 2 ?
C1 Pt3 O2 172.7(5) . 2 ?
C1 Pt3 O2 172.7(5) 2 . ?
C1 Pt3 O2 94.4(4) . . ?
O2 Pt3 O2 78.4(5) 2 . ?
C1 Pt3 Ag1 97.9(4) 2 . ?
C1 Pt3 Ag1 85.5(4) . . ?
O2 Pt3 Ag1 94.2(2) 2 . ?
O2 Pt3 Ag1 82.0(2) . . ?
C1 Pt3 Ag1 85.5(4) 2 2 ?
C1 Pt3 Ag1 97.9(4) . 2 ?
O2 Pt3 Ag1 82.0(2) 2 2 ?
O2 Pt3 Ag1 94.2(2) . 2 ?
Ag1 Pt3 Ag1 175.12(5) . 2 ?
Cl2 Ag1 Cl20 145.06(13) . . ?
Cl2 Ag1 Pt2 127.16(10) . . ?
Cl20 Ag1 Pt2 77.89(9) . . ?
Cl2 Ag1 Cl6 82.52(12) . 2 ?
Cl20 Ag1 Cl6 97.70(12) . 2 ?
Pt2 Ag1 Cl6 132.12(8) . 2 ?
Cl2 Ag1 Pt3 77.21(9) . . ?
Cl20 Ag1 Pt3 136.15(10) . . ?
Pt2 Ag1 Pt3 79.65(3) . . ?
Cl6 Ag1 Pt3 71.18(9) 2 . ?
Pt1 O1 Pt2 105.9(4) . . ?
Pt3 O2 Pt2 112.1(4) . . ?
Pt3 O2 Pt1 102.3(4) . . ?
Pt2 O2 Pt1 96.4(3) . . ?
C6 C1 C2 114.9(13) . . ?
C6 C1 Pt3 119.9(11) . . ?
C2 C1 Pt3 124.7(11) . . ?
C3 C2 C1 120.6(14) . . ?
C3 C2 Cl2 119.4(12) . . ?
C1 C2 Cl2 120.0(11) . . ?
C4 C3 C2 122.2(16) . . ?
C4 C3 Cl3 120.4(13) . . ?
C2 C3 Cl3 117.3(13) . . ?
C3 C4 C5 119.8(16) . . ?
C3 C4 Cl4 120.8(14) . . ?
C5 C4 Cl4 119.3(14) . . ?
C4 C5 C6 117.1(15) . . ?
C4 C5 Cl5 120.1(12) . . ?
C6 C5 Cl5 122.7(13) . . ?
C1 C6 C5 125.1(14) . . ?
C1 C6 Cl6 120.8(11) . . ?
C5 C6 Cl6 114.0(12) . . ?
C2 Cl2 Ag1 95.2(4) . . ?
C6 Cl6 Ag1 107.3(5) . 2 ?
C8 C7 C12 120.9(13) . . ?
C8 C7 Pt1 121.0(11) . . ?
C12 C7 Pt1 117.6(10) . . ?
C7 C8 C9 117.5(14) . . ?
C7 C8 Cl8 125.2(11) . . ?
C9 C8 Cl8 117.3(12) . . ?
C10 C9 C8 122.0(15) . . ?
C10 C9 Cl9 119.7(13) . . ?
C8 C9 Cl9 118.2(13) . . ?
C9 C10 C11 120.1(15) . . ?
C9 C10 Cl10 121.3(13) . . ?
C11 C10 Cl10 118.6(14) . . ?
C12 C11 C10 120.2(15) . . ?
C12 C11 Cl11 119.1(13) . . ?
C10 C11 Cl11 120.5(12) . . ?
C11 C12 C7 119.0(14) . . ?
C11 C12 Cl12 117.9(12) . . ?
C7 C12 Cl12 123.0(11) . . ?
C18 C13 C14 116.9(14) . . ?
C18 C13 Pt2 120.2(11) . . ?
C14 C13 Pt2 122.9(11) . . ?
C15 C14 C13 123.2(14) . . ?
C15 C14 Cl14 115.8(11) . . ?
C13 C14 Cl14 120.9(11) . . ?
C14 C15 C16 118.7(15) . . ?
C14 C15 Cl15 121.5(12) . . ?
C16 C15 Cl15 119.6(13) . . ?
C17 C16 C15 119.0(15) . . ?
C17 C16 Cl16 120.2(13) . . ?
C15 C16 Cl16 120.8(13) . . ?
C16 C17 C18 119.3(14) . . ?
C16 C17 Cl17 119.0(12) . . ?
C18 C17 Cl17 121.7(12) . . ?
C13 C18 C17 122.8(14) . . ?
C13 C18 Cl18 121.8(12) . . ?
C17 C18 Cl18 115.4(11) . . ?
C20 C19 C24 111.3(14) . . ?
C20 C19 Pt2 125.7(12) . . ?
C24 C19 Pt2 120.6(11) . . ?
C21 C20 C19 125.9(15) . . ?
C21 C20 Cl20 115.1(12) . . ?
C19 C20 Cl20 118.8(12) . . ?
C22 C21 C20 119.2(16) . . ?
C22 C21 Cl21 119.6(13) . . ?
C20 C21 Cl21 121.2(13) . . ?
C23 C22 C21 120.9(16) . . ?
C23 C22 Cl22 118.6(13) . . ?
C21 C22 Cl22 120.5(14) . . ?
C22 C23 C24 118.6(15) . . ?
C22 C23 Cl23 122.8(13) . . ?
C24 C23 Cl23 118.5(13) . . ?
C23 C24 C19 124.0(15) . . ?
C23 C24 Cl24 119.4(13) . . ?
C19 C24 Cl24 116.5(12) . . ?
C20 Cl20 Ag1 107.9(5) . . ?
C30 C25 C26 118(2) . . ?
C30 C25 H25 120.8 . . ?
C26 C25 H25 120.8 . . ?
C27 C26 C25 118(2) . . ?
C27 C26 H26 120.9 . . ?
C25 C26 H26 120.9 . . ?
C28 C27 C26 123(2) . . ?
C28 C27 H27 118.3 . . ?
C26 C27 H27 118.3 . . ?
C27 C28 C29 116(2) . . ?
C27 C28 H28 122.1 . . ?
C29 C28 H28 122.1 . . ?
C30 C29 C28 122(2) . . ?
C30 C29 H29 118.9 . . ?
C28 C29 H29 118.9 . . ?
C25 C30 C29 122(2) . . ?
C25 C30 H30 119.2 . . ?
C29 C30 H30 119.2 . . ?
O2W O1W O1W 151(10) . 2 ?
O3W O2W O1W 140(9) . . ?
O3W O2W O4W 31(6) . . ?
O1W O2W O4W 155(6) . . ?
O2W O3W O4W 120(10) . . ?
O2W O3W O5W 158(9) . . ?
O4W O3W O5W 43(5) . . ?
O5W O4W O3W 89(9) . . ?
O5W O4W O6W 52(6) . . ?
O3W O4W O6W 140(9) . . ?
O5W O4W O2W 117(8) . . ?
O3W O4W O2W 29(5) . . ?
O6W O4W O2W 160(6) . . ?
O4W O5W O6W 90(9) . . ?
O4W O5W O3W 48(6) . . ?
O6W O5W O3W 137(8) . . ?
O4W O5W O7W 115(9) . . ?
O6W O5W O7W 28(5) . . ?
O3W O5W O7W 162(7) . . ?
O7W O6W O5W 115(10) . . ?
O7W O6W O4W 148(10) . . ?
O5W O6W O4W 39(5) . . ?
O7W O6W O8W 28(6) . . ?
O5W O6W O8W 140(8) . . ?
O4W O6W O8W 174(6) . . ?
O8W O7W O6W 124(10) . . ?
O8W O7W O5W 155(9) . . ?
O6W O7W O5W 37(6) . . ?
O8W O7W O9W 35(6) . . ?
O6W O7W O9W 155(9) . . ?
O5W O7W O9W 168(6) . . ?
O7W O8W O9W 118(10) . . ?
O7W O8W O6W 28(6) . . ?
O9W O8W O6W 143(8) . . ?
O7W O8W O10W 148(9) . . ?
O9W O8W O10W 31(5) . . ?
O6W O8W O10W 174(6) . . ?
O10W O9W O8W 110(9) . . ?
O10W O9W O10W 23(8) . 2_655 ?
O8W O9W O10W 133(7) . 2_655 ?
O10W O9W O7W 135(9) . . ?
O8W O9W O7W 26(4) . . ?
O10W O9W O7W 158(6) 2_655 . ?
O10W O10W O9W 134(10) 2_655 . ?
O10W O10W O8W 173(10) 2_655 . ?
O9W O10W O8W 39(5) . . ?
O10W O10W O9W 23(9) 2_655 2_655 ?
O9W O10W O9W 151(9) . 2_655 ?
O8W O10W O9W 163(6) . 2_655 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 2(2) . . . . ?
Pt3 C1 C2 C3 -169.9(11) . . . . ?
C6 C1 C2 Cl2 -179.5(10) . . . . ?
Pt3 C1 C2 Cl2 8.4(17) . . . . ?
C1 C2 C3 C4 -4(2) . . . . ?
Cl2 C2 C3 C4 177.4(13) . . . . ?
C1 C2 C3 Cl3 178.8(11) . . . . ?
Cl2 C2 C3 Cl3 0.5(17) . . . . ?
C2 C3 C4 C5 2(3) . . . . ?
Cl3 C3 C4 C5 178.6(12) . . . . ?
C2 C3 C4 Cl4 -176.7(12) . . . . ?
Cl3 C3 C4 Cl4 0(2) . . . . ?
C3 C4 C5 C6 3(2) . . . . ?
Cl4 C4 C5 C6 -179.0(12) . . . . ?
C3 C4 C5 Cl5 -178.7(13) . . . . ?
Cl4 C4 C5 Cl5 0(2) . . . . ?
C2 C1 C6 C5 2(2) . . . . ?
Pt3 C1 C6 C5 174.8(11) . . . . ?
C2 C1 C6 Cl6 179.6(9) . . . . ?
Pt3 C1 C6 Cl6 -7.9(16) . . . . ?
C4 C5 C6 C1 -5(2) . . . . ?
Cl5 C5 C6 C1 176.6(12) . . . . ?
C4 C5 C6 Cl6 177.9(12) . . . . ?
Cl5 C5 C6 Cl6 -0.9(18) . . . . ?
C3 C2 Cl2 Ag1 128.5(12) . . . . ?
C1 C2 Cl2 Ag1 -49.8(11) . . . . ?
C1 C6 Cl6 Ag1 -30.1(12) . . . 2 ?
C5 C6 Cl6 Ag1 147.5(10) . . . 2 ?
C12 C7 C8 C9 -3(2) . . . . ?
Pt1 C7 C8 C9 169.5(11) . . . . ?
C12 C7 C8 Cl8 179.1(12) . . . . ?
Pt1 C7 C8 Cl8 -9(2) . . . . ?
C7 C8 C9 C10 6(3) . . . . ?
Cl8 C8 C9 C10 -175.8(15) . . . . ?
C7 C8 C9 Cl9 -176.5(12) . . . . ?
Cl8 C8 C9 Cl9 1.9(19) . . . . ?
C8 C9 C10 C11 -5(3) . . . . ?
Cl9 C9 C10 C11 176.9(13) . . . . ?
C8 C9 C10 Cl10 176.2(13) . . . . ?
Cl9 C9 C10 Cl10 -1(2) . . . . ?
C9 C10 C11 C12 2(3) . . . . ?
Cl10 C10 C11 C12 -179.7(13) . . . . ?
C9 C10 C11 Cl11 178.3(14) . . . . ?
Cl10 C10 C11 Cl11 -3(2) . . . . ?
C10 C11 C12 C7 1(2) . . . . ?
Cl11 C11 C12 C7 -175.4(11) . . . . ?
C10 C11 C12 Cl12 179.9(13) . . . . ?
Cl11 C11 C12 Cl12 3.4(19) . . . . ?
C8 C7 C12 C11 -1(2) . . . . ?
Pt1 C7 C12 C11 -173.0(11) . . . . ?
C8 C7 C12 Cl12 -179.3(11) . . . . ?
Pt1 C7 C12 Cl12 8.3(17) . . . . ?
C18 C13 C14 C15 -2(2) . . . . ?
Pt2 C13 C14 C15 -179.2(12) . . . . ?
C18 C13 C14 Cl14 -176.7(11) . . . . ?
Pt2 C13 C14 Cl14 5.7(19) . . . . ?
C13 C14 C15 C16 2(3) . . . . ?
Cl14 C14 C15 C16 177.5(13) . . . . ?
C13 C14 C15 Cl15 178.8(13) . . . . ?
Cl14 C14 C15 Cl15 -5.8(19) . . . . ?
C14 C15 C16 C17 -2(3) . . . . ?
Cl15 C15 C16 C17 -179.0(12) . . . . ?
C14 C15 C16 Cl16 177.4(12) . . . . ?
Cl15 C15 C16 Cl16 1(2) . . . . ?
C15 C16 C17 C18 2(2) . . . . ?
Cl16 C16 C17 C18 -177.8(12) . . . . ?
C15 C16 C17 Cl17 -177.4(13) . . . . ?
Cl16 C16 C17 Cl17 3(2) . . . . ?
C14 C13 C18 C17 1(2) . . . . ?
Pt2 C13 C18 C17 178.9(11) . . . . ?
C14 C13 C18 Cl18 179.8(11) . . . . ?
Pt2 C13 C18 Cl18 -2.5(18) . . . . ?
C16 C17 C18 C13 -1(2) . . . . ?
Cl17 C17 C18 C13 177.8(12) . . . . ?
C16 C17 C18 Cl18 179.9(12) . . . . ?
Cl17 C17 C18 Cl18 -0.8(17) . . . . ?
C24 C19 C20 C21 -1(2) . . . . ?
Pt2 C19 C20 C21 -163.0(13) . . . . ?
C24 C19 C20 Cl20 173.0(11) . . . . ?
Pt2 C19 C20 Cl20 10.7(19) . . . . ?
C19 C20 C21 C22 -1(3) . . . . ?
Cl20 C20 C21 C22 -175.0(14) . . . . ?
C19 C20 C21 Cl21 178.7(13) . . . . ?
Cl20 C20 C21 Cl21 4.7(19) . . . . ?
C20 C21 C22 C23 1(3) . . . . ?
Cl21 C21 C22 C23 -178.5(14) . . . . ?
C20 C21 C22 Cl22 -177.5(13) . . . . ?
Cl21 C21 C22 Cl22 3(2) . . . . ?
C21 C22 C23 C24 0(3) . . . . ?
Cl22 C22 C23 C24 179.3(13) . . . . ?
C21 C22 C23 Cl23 178.5(13) . . . . ?
Cl22 C22 C23 Cl23 -3(2) . . . . ?
C22 C23 C24 C19 -2(3) . . . . ?
Cl23 C23 C24 C19 179.4(13) . . . . ?
C22 C23 C24 Cl24 175.0(14) . . . . ?
Cl23 C23 C24 Cl24 -3(2) . . . . ?
C20 C19 C24 C23 3(2) . . . . ?
Pt2 C19 C24 C23 165.9(14) . . . . ?
C20 C19 C24 Cl24 -175.0(12) . . . . ?
Pt2 C19 C24 Cl24 -11.7(19) . . . . ?
C21 C20 Cl20 Ag1 -168.5(11) . . . . ?
C19 C20 Cl20 Ag1 17.1(14) . . . . ?
C30 C25 C26 C27 -7(3) . . . . ?
C25 C26 C27 C28 4(3) . . . . ?
C26 C27 C28 C29 0(3) . . . . ?
C27 C28 C29 C30 -2(3) . . . . ?
C26 C25 C30 C29 5(3) . . . . ?
C28 C29 C30 C25 -1(3) . . . . ?

_refine_diff_density_max         1.702
_refine_diff_density_min         -1.113
_refine_diff_density_rms         0.220


_exptl_crystal_recrystallization_method 'from the reaction mixture'
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1461799'
_audit_update_record             
;
2016-03-09 deposited with the CCDC.
2017-11-13 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT910_1                   
;
PROBLEM: Missing # of FCF Reflection(s) Below Th(Min) ...         94 Report
RESPONSE: Because of the long a-axis of approximately 50 \%A, this number
of reflections fell below the beamstop shadow that we impose through
the data reduction software. Only two of the missing reflections are
expected to be exceptionally strong (based on their Fcalc). We note that
these reflections do not adversely impact the level of completeness, either
for the Laue-equivalent data or for the crystal-class-equivalent data.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        'compound 1'
_chemical_name_common            'Local reference Estr. 1039, "Pt4"'
_chemical_melting_point          ?
_chemical_formula_moiety         
;
(C16 H36 N 1+)2, C48 H4 Cl40 O4 Pt4, 2(C3 H6 O)
;
_chemical_formula_sum            'C86 H88 Cl40 N2 O6 Pt4'
_chemical_formula_weight         3443.94

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'
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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'

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

_cell_length_a                   50.3157(9)
_cell_length_b                   13.2707(2)
_cell_length_c                   17.5344(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11708.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(1)
_cell_measurement_reflns_used    37443
_cell_measurement_theta_min      4.2050
_cell_measurement_theta_max      30.1140

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    1.954
_exptl_crystal_F_000             6632
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.424
_exptl_crystal_size_mid          0.077
_exptl_crystal_size_min          0.065
_exptl_absorpt_coefficient_mu    5.726
_shelx_estimated_absorpt_T_min   0.195
_shelx_estimated_absorpt_T_max   0.707
_exptl_absorpt_correction_T_min  0.247
_exptl_absorpt_correction_T_max  0.703
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Multi-scan absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   
; 
Both numerical and multi-scan corrections were applied.
;
_diffrn_ambient_temperature      173(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Sapphire3
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            76053
_diffrn_reflns_av_unetI/netI     0.0464
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_limit_h_min       -61
_diffrn_reflns_limit_h_max       65
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         4.804
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_full        27.500
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.979
_reflns_number_total             26376
_reflns_number_gt                25077
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.909
_reflns_Friedel_fraction_max     0.964
_reflns_Friedel_fraction_full    0.964

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    
;
SIR-92
Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C.,
Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    
;
Diamond v3.2k
Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany. 
;
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0200P)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_abs_structure_details 
;
 Flack x determined using 10963 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.0132(16)
_chemical_absolute_configuration .
_refine_ls_number_reflns         26376
_refine_ls_number_parameters     1255
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0280
_refine_ls_wR_factor_ref         0.0567
_refine_ls_wR_factor_gt          0.0556
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.002
_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 0.61860(2) 0.29926(2) 0.52497(2) 0.01883(5) Uani 1 1 d . . . . .
Pt2 Pt 0.64115(2) 0.32979(2) 0.35100(2) 0.02163(6) Uani 1 1 d . . . . .
Pt3 Pt 0.62403(2) 0.53784(2) 0.46926(2) 0.02058(6) Uani 1 1 d . . . . .
Pt4 Pt 0.59753(2) 0.46222(2) 0.65184(2) 0.02147(6) Uani 1 1 d . . . . .
O1 O 0.60993(10) 0.2728(3) 0.4156(3) 0.0272(11) Uani 1 1 d . . . . .
O2 O 0.64484(8) 0.3958(3) 0.4615(3) 0.0213(9) Uani 1 1 d . . . . .
O3 O 0.59730(8) 0.4411(3) 0.5292(3) 0.0221(9) Uani 1 1 d . . . . .
O4 O 0.62774(10) 0.3589(3) 0.6269(3) 0.0272(11) Uani 1 1 d . . . . .
C1 C 0.64309(13) 0.1776(5) 0.5178(4) 0.0240(15) Uani 1 1 d . . . . .
C2 C 0.66964(14) 0.1845(5) 0.5417(4) 0.0290(16) Uani 1 1 d . . . . .
C3 C 0.68794(14) 0.1080(5) 0.5288(5) 0.0340(16) Uani 1 1 d . . . . .
C4 C 0.68024(17) 0.0227(5) 0.4905(5) 0.038(2) Uani 1 1 d . . . . .
C5 C 0.65390(15) 0.0115(5) 0.4678(5) 0.0327(17) Uani 1 1 d . . . . .
C6 C 0.63579(14) 0.0866(5) 0.4822(4) 0.0285(16) Uani 1 1 d . . . . .
Cl2 Cl 0.68129(4) 0.29061(14) 0.58946(11) 0.0348(4) Uani 1 1 d . . . . .
Cl3 Cl 0.72039(4) 0.12042(19) 0.55918(15) 0.0579(6) Uani 1 1 d . . . . .
Cl4 Cl 0.70306(5) -0.07286(16) 0.47258(17) 0.0641(7) Uani 1 1 d . . . . .
Cl5 Cl 0.64478(5) -0.09542(14) 0.41934(14) 0.0527(6) Uani 1 1 d . . . . .
Cl6 Cl 0.60356(4) 0.06157(12) 0.45632(11) 0.0355(4) Uani 1 1 d . . . . .
C11 C 0.59026(13) 0.2197(4) 0.5820(4) 0.0212(14) Uani 1 1 d . . . . .
C12 C 0.56397(15) 0.2189(5) 0.5582(4) 0.0277(16) Uani 1 1 d . . . . .
C13 C 0.54378(15) 0.1799(5) 0.6025(4) 0.0312(17) Uani 1 1 d . . . . .
C14 C 0.54871(16) 0.1401(5) 0.6737(5) 0.0348(18) Uani 1 1 d . . . . .
C15 C 0.57497(16) 0.1354(5) 0.6997(4) 0.0308(17) Uani 1 1 d . . . . .
C16 C 0.59503(14) 0.1718(4) 0.6532(4) 0.0275(15) Uani 1 1 d . . . . .
Cl12 Cl 0.55514(3) 0.26517(13) 0.46935(11) 0.0324(4) Uani 1 1 d . . . . .
Cl13 Cl 0.51135(4) 0.17786(16) 0.56851(14) 0.0471(5) Uani 1 1 d . . . . .
Cl14 Cl 0.52337(5) 0.09616(17) 0.72977(14) 0.0575(6) Uani 1 1 d . . . . .
Cl15 Cl 0.58138(5) 0.08642(16) 0.78739(12) 0.0501(5) Uani 1 1 d . . . . .
Cl16 Cl 0.62704(4) 0.15299(13) 0.68722(10) 0.0343(4) Uani 1 1 d . . . . .
C21 C 0.63082(14) 0.2561(5) 0.2578(4) 0.0259(15) Uani 1 1 d . . . . .
C22 C 0.60526(14) 0.2732(5) 0.2261(4) 0.0269(15) Uani 1 1 d . . . . .
C23 C 0.59586(14) 0.2216(5) 0.1629(4) 0.0288(16) Uani 1 1 d . . . . .
C24 C 0.61219(16) 0.1505(5) 0.1265(4) 0.0320(17) Uani 1 1 d . . . . .
C25 C 0.63673(15) 0.1291(5) 0.1572(4) 0.0298(16) Uani 1 1 d . . . . .
C26 C 0.64532(14) 0.1798(5) 0.2226(4) 0.0272(15) Uani 1 1 d . . . . .
Cl22 Cl 0.58453(4) 0.36246(15) 0.26647(11) 0.0392(5) Uani 1 1 d . . . . .
Cl23 Cl 0.56430(4) 0.24267(16) 0.12886(12) 0.0427(5) Uani 1 1 d . . . . .
Cl24 Cl 0.60139(5) 0.09087(17) 0.04504(13) 0.0530(6) Uani 1 1 d . . . . .
Cl25 Cl 0.65645(4) 0.03803(15) 0.11588(13) 0.0458(5) Uani 1 1 d . . . . .
Cl26 Cl 0.67530(4) 0.14381(14) 0.26389(12) 0.0376(4) Uani 1 1 d . . . . .
C31 C 0.67190(14) 0.3971(5) 0.3022(4) 0.0271(15) Uani 1 1 d . . . . .
C32 C 0.67022(15) 0.4668(5) 0.2416(4) 0.0296(16) Uani 1 1 d . . . . .
C33 C 0.69154(17) 0.5206(5) 0.2130(4) 0.0351(18) Uani 1 1 d . . . . .
C34 C 0.71674(16) 0.5091(5) 0.2473(5) 0.0351(18) Uani 1 1 d . . . . .
C35 C 0.71947(15) 0.4426(5) 0.3073(4) 0.0345(18) Uani 1 1 d . . . . .
C36 C 0.69768(14) 0.3869(5) 0.3318(4) 0.0290(16) Uani 1 1 d . . . . .
Cl32 Cl 0.63964(4) 0.48829(14) 0.19975(11) 0.0376(4) Uani 1 1 d . . . . .
Cl33 Cl 0.68839(5) 0.60139(15) 0.13775(12) 0.0519(6) Uani 1 1 d . . . . .
Cl34 Cl 0.74369(5) 0.57569(18) 0.21398(15) 0.0586(6) Uani 1 1 d . . . . .
Cl35 Cl 0.75007(4) 0.43093(16) 0.35240(15) 0.0484(5) Uani 1 1 d . . . . .
Cl36 Cl 0.70337(4) 0.29961(14) 0.40454(11) 0.0367(4) Uani 1 1 d . . . . .
C41 C 0.60261(13) 0.6585(5) 0.4947(4) 0.0238(15) Uani 1 1 d . . . . .
C42 C 0.57621(14) 0.6684(5) 0.4725(5) 0.0293(15) Uani 1 1 d . . . . .
C43 C 0.56079(15) 0.7520(5) 0.4906(5) 0.0364(18) Uani 1 1 d . . . . .
C44 C 0.57169(16) 0.8281(5) 0.5349(5) 0.0367(19) Uani 1 1 d . . . . .
C45 C 0.59750(16) 0.8197(5) 0.5619(4) 0.0317(17) Uani 1 1 d . . . . .
C46 C 0.61216(15) 0.7354(5) 0.5414(4) 0.0279(16) Uani 1 1 d . . . . .
Cl42 Cl 0.56122(4) 0.57227(14) 0.42031(12) 0.0374(4) Uani 1 1 d . . . . .
Cl43 Cl 0.52878(4) 0.76257(18) 0.45742(17) 0.0622(7) Uani 1 1 d . . . . .
Cl44 Cl 0.55276(5) 0.93240(15) 0.55891(16) 0.0597(7) Uani 1 1 d . . . . .
Cl45 Cl 0.61057(5) 0.91131(13) 0.61992(12) 0.0475(5) Uani 1 1 d . . . . .
Cl46 Cl 0.64439(4) 0.72621(14) 0.57650(12) 0.0382(5) Uani 1 1 d . . . . .
C51 C 0.64943(14) 0.6188(4) 0.4072(4) 0.0243(15) Uani 1 1 d . . . . .
C52 C 0.67654(14) 0.6234(5) 0.4247(4) 0.0254(15) Uani 1 1 d . . . . .
C53 C 0.69499(14) 0.6813(5) 0.3842(4) 0.0282(16) Uani 1 1 d . . . . .
C54 C 0.68631(15) 0.7376(5) 0.3227(4) 0.0309(16) Uani 1 1 d . . . . .
C55 C 0.66001(16) 0.7341(5) 0.3008(4) 0.0309(17) Uani 1 1 d . . . . .
C56 C 0.64201(14) 0.6754(5) 0.3431(4) 0.0260(15) Uani 1 1 d . . . . .
Cl52 Cl 0.68873(4) 0.55264(13) 0.50097(11) 0.0321(4) Uani 1 1 d . . . . .
Cl53 Cl 0.72788(4) 0.68450(15) 0.41053(12) 0.0395(4) Uani 1 1 d . . . . .
Cl54 Cl 0.70836(5) 0.81444(16) 0.27447(13) 0.0501(5) Uani 1 1 d . . . . .
Cl55 Cl 0.64940(4) 0.80572(15) 0.22504(12) 0.0447(5) Uani 1 1 d . . . . .
Cl56 Cl 0.60922(4) 0.67492(14) 0.31329(11) 0.0363(4) Uani 1 1 d . . . . .
C61 C 0.56899(14) 0.5666(5) 0.6658(4) 0.0265(15) Uani 1 1 d . . . . .
C62 C 0.54364(15) 0.5543(5) 0.6350(4) 0.0292(16) Uani 1 1 d . . . . .
C63 C 0.52337(15) 0.6255(5) 0.6398(5) 0.0376(18) Uani 1 1 d . . . . .
C64 C 0.52787(17) 0.7145(5) 0.6800(5) 0.040(2) Uani 1 1 d . . . . .
C65 C 0.55252(16) 0.7302(5) 0.7118(5) 0.0334(18) Uani 1 1 d . . . . .
C66 C 0.57237(15) 0.6581(5) 0.7044(4) 0.0298(16) Uani 1 1 d . . . . .
Cl62 Cl 0.53613(4) 0.44270(14) 0.58732(12) 0.0366(4) Uani 1 1 d . . . . .
Cl63 Cl 0.49293(4) 0.60565(17) 0.59683(16) 0.0563(6) Uani 1 1 d . . . . .
Cl64 Cl 0.50277(5) 0.80169(16) 0.68959(18) 0.0652(8) Uani 1 1 d . . . . .
Cl65 Cl 0.55784(5) 0.83893(14) 0.76414(15) 0.0527(6) Uani 1 1 d . . . . .
Cl66 Cl 0.60315(4) 0.68744(13) 0.74407(12) 0.0367(4) Uani 1 1 d . . . . .
C71 C 0.60237(14) 0.4493(4) 0.7616(4) 0.0241(15) Uani 1 1 d . . . . .
C72 C 0.62724(16) 0.4721(5) 0.7980(4) 0.0325(17) Uani 1 1 d . . . . .
C73 C 0.63171(16) 0.4644(6) 0.8754(5) 0.0375(19) Uani 1 1 d . . . . .
C74 C 0.61120(19) 0.4257(6) 0.9226(4) 0.039(2) Uani 1 1 d . . . . .
C75 C 0.58752(17) 0.3954(5) 0.8895(4) 0.0376(19) Uani 1 1 d . . . . .
C76 C 0.58332(15) 0.4086(5) 0.8116(4) 0.0285(16) Uani 1 1 d . . . . .
Cl72 Cl 0.65315(4) 0.51695(15) 0.74178(12) 0.0399(5) Uani 1 1 d . . . . .
Cl73 Cl 0.66144(5) 0.4962(2) 0.91565(14) 0.0599(6) Uani 1 1 d . . . . .
Cl74 Cl 0.61595(5) 0.4162(2) 1.01897(13) 0.0661(7) Uani 1 1 d . . . . .
Cl75 Cl 0.56302(5) 0.34543(18) 0.94603(13) 0.0563(6) Uani 1 1 d . . . . .
Cl76 Cl 0.55365(4) 0.36811(13) 0.77380(11) 0.0366(4) Uani 1 1 d . . . . .
N1 N 0.74169(13) 0.6728(5) 0.6754(4) 0.0407(16) Uani 1 1 d . . . . .
C80 C 0.74243(18) 0.5798(6) 0.6251(5) 0.046(2) Uani 1 1 d . . . . .
H80A H 0.7280 0.5342 0.6417 0.055 Uiso 1 1 calc R U . . .
H80B H 0.7384 0.6009 0.5723 0.055 Uiso 1 1 calc R U . . .
C81 C 0.76793(19) 0.5197(7) 0.6235(6) 0.054(2) Uani 1 1 d . . . . .
H81A H 0.7730 0.4999 0.6760 0.065 Uiso 1 1 calc R U . . .
H81B H 0.7824 0.5613 0.6020 0.065 Uiso 1 1 calc R U . . .
C82 C 0.7639(3) 0.4261(10) 0.5747(7) 0.093(4) Uani 1 1 d . . . . .
H82A H 0.7518 0.3795 0.6019 0.112 Uiso 1 1 calc R U . . .
H82B H 0.7551 0.4460 0.5264 0.112 Uiso 1 1 calc R U . . .
C83 C 0.7881(3) 0.3733(11) 0.5569(9) 0.113(5) Uani 1 1 d . . . . .
H83A H 0.7987 0.4138 0.5216 0.170 Uiso 1 1 calc R U . . .
H83B H 0.7838 0.3084 0.5333 0.170 Uiso 1 1 calc R U . . .
H83C H 0.7982 0.3618 0.6039 0.170 Uiso 1 1 calc R U . . .
C84 C 0.74604(16) 0.6446(7) 0.7580(5) 0.043(2) Uani 1 1 d . . . . .
H84A H 0.7646 0.6211 0.7635 0.052 Uiso 1 1 calc R U . . .
H84B H 0.7442 0.7065 0.7890 0.052 Uiso 1 1 calc R U . . .
C85 C 0.7282(2) 0.5658(9) 0.7915(6) 0.067(3) Uani 1 1 d . . . . .
H85A H 0.7314 0.5006 0.7656 0.081 Uiso 1 1 calc R U . . .
H85B H 0.7094 0.5849 0.7825 0.081 Uiso 1 1 calc R U . . .
C86 C 0.7328(2) 0.5532(9) 0.8774(7) 0.072(3) Uani 1 1 d . . . . .
H86A H 0.7236 0.4912 0.8945 0.086 Uiso 1 1 calc R U . . .
H86B H 0.7521 0.5434 0.8862 0.086 Uiso 1 1 calc R U . . .
C87 C 0.7236(2) 0.6385(9) 0.9254(6) 0.077(3) Uani 1 1 d . . . . .
H87A H 0.7350 0.6973 0.9163 0.115 Uiso 1 1 calc R U . . .
H87B H 0.7246 0.6194 0.9793 0.115 Uiso 1 1 calc R U . . .
H87C H 0.7052 0.6551 0.9122 0.115 Uiso 1 1 calc R U . . .
C88 C 0.76409(17) 0.7450(6) 0.6531(5) 0.0420(19) Uani 1 1 d . . . . .
H88A H 0.7628 0.8057 0.6856 0.050 Uiso 1 1 calc R U . . .
H88B H 0.7813 0.7120 0.6645 0.050 Uiso 1 1 calc R U . . .
C89 C 0.76428(18) 0.7781(6) 0.5703(5) 0.046(2) Uani 1 1 d . . . . .
H89A H 0.7468 0.8076 0.5570 0.055 Uiso 1 1 calc R U . . .
H89B H 0.7673 0.7189 0.5371 0.055 Uiso 1 1 calc R U . . .
C90 C 0.7861(2) 0.8557(6) 0.5567(5) 0.056(3) Uani 1 1 d . . . . .
H90A H 0.7859 0.8751 0.5022 0.067 Uiso 1 1 calc R U . . .
H90B H 0.7820 0.9168 0.5870 0.067 Uiso 1 1 calc R U . . .
C91 C 0.81362(19) 0.8188(7) 0.5775(6) 0.055(2) Uani 1 1 d . . . . .
H91A H 0.8140 0.7992 0.6314 0.083 Uiso 1 1 calc R U . . .
H91B H 0.8265 0.8728 0.5688 0.083 Uiso 1 1 calc R U . . .
H91C H 0.8182 0.7604 0.5459 0.083 Uiso 1 1 calc R U . . .
C92 C 0.71468(18) 0.7218(8) 0.6642(5) 0.055(2) Uani 1 1 d . . . . .
H92A H 0.7009 0.6754 0.6837 0.066 Uiso 1 1 calc R U . . .
H92B H 0.7116 0.7305 0.6088 0.066 Uiso 1 1 calc R U . . .
C93 C 0.7112(2) 0.8242(9) 0.7032(8) 0.085(4) Uani 1 1 d . . . . .
H93A H 0.7147 0.8160 0.7585 0.102 Uiso 1 1 calc R U . . .
H93B H 0.7247 0.8713 0.6828 0.102 Uiso 1 1 calc R U . . .
C94 C 0.6848(2) 0.8690(10) 0.6929(8) 0.085(4) Uani 1 1 d . . . . .
H94A H 0.6813 0.8769 0.6376 0.101 Uiso 1 1 calc R U . . .
H94B H 0.6713 0.8220 0.7135 0.101 Uiso 1 1 calc R U . . .
C95 C 0.6815(3) 0.9674(9) 0.7302(9) 0.095(4) Uani 1 1 d . . . . .
H95A H 0.6928 0.9702 0.7758 0.143 Uiso 1 1 calc R U . . .
H95B H 0.6629 0.9766 0.7449 0.143 Uiso 1 1 calc R U . . .
H95C H 0.6868 1.0210 0.6948 0.143 Uiso 1 1 calc R U . . .
N2 N 0.42728(14) 0.2657(5) 0.5648(4) 0.0431(17) Uani 1 1 d . . . . .
C96 C 0.44560(18) 0.2824(6) 0.4985(5) 0.046(2) Uani 1 1 d . . . . .
H96A H 0.4432 0.2258 0.4624 0.055 Uiso 1 1 calc R U . . .
H96B H 0.4641 0.2788 0.5176 0.055 Uiso 1 1 calc R U . . .
C97 C 0.4426(2) 0.3799(8) 0.4545(7) 0.067(3) Uani 1 1 d . . . . .
H97A H 0.4245 0.3834 0.4324 0.081 Uiso 1 1 calc R U . . .
H97B H 0.4448 0.4376 0.4897 0.081 Uiso 1 1 calc R U . . .
C98 C 0.4625(2) 0.3874(7) 0.3924(5) 0.057(3) Uani 1 1 d . . . . .
H98A H 0.4602 0.3287 0.3582 0.068 Uiso 1 1 calc R U . . .
H98B H 0.4586 0.4487 0.3623 0.068 Uiso 1 1 calc R U . . .
C99 C 0.4897(3) 0.3913(16) 0.4155(10) 0.164(10) Uani 1 1 d . . . . .
H99A H 0.4928 0.4533 0.4444 0.246 Uiso 1 1 calc R U . . .
H99B H 0.5011 0.3903 0.3703 0.246 Uiso 1 1 calc R U . . .
H99C H 0.4937 0.3329 0.4477 0.246 Uiso 1 1 calc R U . . .
C100 C 0.43430(18) 0.1626(5) 0.5970(5) 0.042(2) Uani 1 1 d . . . . .
H10A H 0.4309 0.1117 0.5569 0.051 Uiso 1 1 calc R U . . .
H10B H 0.4536 0.1617 0.6077 0.051 Uiso 1 1 calc R U . . .
C101 C 0.42013(19) 0.1303(7) 0.6675(5) 0.050(2) Uani 1 1 d . . . . .
H10C H 0.4019 0.1086 0.6543 0.060 Uiso 1 1 calc R U . . .
H10D H 0.4188 0.1879 0.7032 0.060 Uiso 1 1 calc R U . . .
C102 C 0.4349(2) 0.0433(7) 0.7061(6) 0.055(2) Uani 1 1 d . . . . .
H10E H 0.4363 -0.0134 0.6696 0.066 Uiso 1 1 calc R U . . .
H10F H 0.4532 0.0656 0.7181 0.066 Uiso 1 1 calc R U . . .
C103 C 0.4219(2) 0.0057(9) 0.7785(7) 0.078(3) Uani 1 1 d . . . . .
H10G H 0.4235 0.0573 0.8183 0.117 Uiso 1 1 calc R U . . .
H10H H 0.4308 -0.0561 0.7954 0.117 Uiso 1 1 calc R U . . .
H10I H 0.4031 -0.0083 0.7687 0.117 Uiso 1 1 calc R U . . .
C104 C 0.39807(17) 0.2701(7) 0.5409(6) 0.056(3) Uani 1 1 d . . . . .
H10J H 0.3870 0.2556 0.5863 0.068 Uiso 1 1 calc R U . . .
H10K H 0.3940 0.3398 0.5245 0.068 Uiso 1 1 calc R U . . .
C105 C 0.3897(2) 0.1988(9) 0.4773(7) 0.075(3) Uani 1 1 d . . . . .
H10L H 0.3935 0.1283 0.4923 0.090 Uiso 1 1 calc R U . . .
H10M H 0.3999 0.2139 0.4304 0.090 Uiso 1 1 calc R U . . .
C106 C 0.3598(3) 0.2114(11) 0.4619(12) 0.134(7) Uani 1 1 d . . . . .
H10N H 0.3500 0.1964 0.5096 0.161 Uiso 1 1 calc R U . . .
H10O H 0.3564 0.2829 0.4490 0.161 Uiso 1 1 calc R U . . .
C107 C 0.3488(4) 0.1492(18) 0.4016(14) 0.202(12) Uani 1 1 d . . . . .
H10P H 0.3615 0.0961 0.3883 0.303 Uiso 1 1 calc R U . . .
H10Q H 0.3453 0.1910 0.3566 0.303 Uiso 1 1 calc R U . . .
H10R H 0.3321 0.1186 0.4191 0.303 Uiso 1 1 calc R U . . .
C108 C 0.43123(18) 0.3468(6) 0.6250(5) 0.046(2) Uani 1 1 d . . . . .
H10S H 0.4278 0.4131 0.6012 0.055 Uiso 1 1 calc R U . . .
H10T H 0.4177 0.3369 0.6654 0.055 Uiso 1 1 calc R U . . .
C109 C 0.45777(19) 0.3504(7) 0.6616(6) 0.053(2) Uani 1 1 d . . . . .
H10U H 0.4714 0.3658 0.6225 0.063 Uiso 1 1 calc R U . . .
H10V H 0.4619 0.2834 0.6834 0.063 Uiso 1 1 calc R U . . .
C110 C 0.4592(2) 0.4278(10) 0.7235(7) 0.079(4) Uani 1 1 d . . . . .
H11A H 0.4449 0.4147 0.7611 0.095 Uiso 1 1 calc R U . . .
H11B H 0.4561 0.4953 0.7012 0.095 Uiso 1 1 calc R U . . .
C111 C 0.4857(2) 0.4270(13) 0.7636(8) 0.112(6) Uani 1 1 d . . . . .
H11C H 0.4875 0.3647 0.7932 0.168 Uiso 1 1 calc R U . . .
H11D H 0.4868 0.4851 0.7980 0.168 Uiso 1 1 calc R U . . .
H11E H 0.5000 0.4307 0.7258 0.168 Uiso 1 1 calc R U . . .
O120 O 0.4540(2) 0.0557(6) 0.4367(5) 0.114(4) Uani 1 1 d D . . . .
C120 C 0.4727(2) 0.0009(7) 0.4338(6) 0.064(3) Uani 1 1 d D . . . .
C121 C 0.4986(2) 0.0261(8) 0.3963(7) 0.079(4) Uani 1 1 d D . . . .
H12A H 0.4952 0.0612 0.3481 0.118 Uiso 1 1 calc R U . . .
H12B H 0.5085 -0.0361 0.3862 0.118 Uiso 1 1 calc R U . . .
H12C H 0.5091 0.0697 0.4300 0.118 Uiso 1 1 calc R U . . .
C122 C 0.4703(3) -0.1021(10) 0.4665(12) 0.133(7) Uani 1 1 d D . . . .
H12D H 0.4525 -0.1112 0.4878 0.200 Uiso 1 1 calc R U . . .
H12E H 0.4836 -0.1108 0.5069 0.200 Uiso 1 1 calc R U . . .
H12F H 0.4734 -0.1521 0.4263 0.200 Uiso 1 1 calc R U . . .
O130 O 0.7957(3) 0.6454(12) 0.4220(8) 0.184(6) Uani 1 1 d D . . . .
C130 C 0.8098(3) 0.6893(13) 0.3799(9) 0.120(7) Uani 1 1 d D . . . .
C131 C 0.8408(4) 0.6702(16) 0.3908(11) 0.160(8) Uani 1 1 d D . . . .
H13A H 0.8453 0.6734 0.4451 0.240 Uiso 1 1 calc R U . . .
H13B H 0.8509 0.7219 0.3631 0.240 Uiso 1 1 calc R U . . .
H13C H 0.8455 0.6035 0.3707 0.240 Uiso 1 1 calc R U . . .
C132 C 0.8004(4) 0.7423(15) 0.3096(11) 0.152(8) Uani 1 1 d D . . . .
H13D H 0.7999 0.6945 0.2670 0.229 Uiso 1 1 calc R U . . .
H13E H 0.8127 0.7973 0.2974 0.229 Uiso 1 1 calc R U . . .
H13F H 0.7826 0.7697 0.3183 0.229 Uiso 1 1 calc R U . . .


_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 1.998(5) . ?
Pt1 O4 2.007(4) . ?
Pt1 C1 2.035(6) . ?
Pt1 C11 2.036(7) . ?
Pt1 O2 2.151(4) . ?
Pt1 O3 2.167(4) . ?
Pt2 C21 1.974(7) . ?
Pt2 C31 1.980(7) . ?
Pt2 O1 2.079(5) . ?
Pt2 O2 2.135(4) . ?
Pt3 C41 1.981(6) . ?
Pt3 C51 1.993(7) . ?
Pt3 O3 2.135(4) . ?
Pt3 O2 2.160(4) . ?
Pt4 C71 1.947(7) . ?
Pt4 C61 2.010(7) . ?
Pt4 O4 2.094(4) . ?
Pt4 O3 2.169(5) . ?
C1 C2 1.403(9) . ?
C1 C6 1.408(9) . ?
C2 C3 1.388(9) . ?
C2 Cl2 1.740(7) . ?
C3 C4 1.373(11) . ?
C3 Cl3 1.726(8) . ?
C4 C5 1.391(11) . ?
C4 Cl4 1.739(7) . ?
C5 C6 1.374(9) . ?
C5 Cl5 1.717(7) . ?
C6 Cl6 1.716(8) . ?
C11 C12 1.387(10) . ?
C11 C16 1.421(9) . ?
C12 C13 1.379(10) . ?
C12 Cl12 1.733(8) . ?
C13 C14 1.378(11) . ?
C13 Cl13 1.737(8) . ?
C14 C15 1.400(11) . ?
C14 Cl14 1.712(8) . ?
C15 C16 1.385(10) . ?
C15 Cl15 1.700(8) . ?
C16 Cl16 1.736(8) . ?
C21 C26 1.392(9) . ?
C21 C22 1.420(10) . ?
C22 C23 1.386(10) . ?
C22 Cl22 1.730(7) . ?
C23 C24 1.404(10) . ?
C23 Cl23 1.719(7) . ?
C24 C25 1.377(10) . ?
C24 Cl24 1.721(7) . ?
C25 C26 1.397(10) . ?
C25 Cl25 1.724(7) . ?
C26 Cl26 1.740(7) . ?
C31 C36 1.403(10) . ?
C31 C32 1.412(9) . ?
C32 C33 1.383(10) . ?
C32 Cl32 1.729(8) . ?
C33 C34 1.412(11) . ?
C33 Cl33 1.707(8) . ?
C34 C35 1.381(11) . ?
C34 Cl34 1.721(8) . ?
C35 C36 1.390(10) . ?
C35 Cl35 1.738(8) . ?
C36 Cl36 1.747(7) . ?
C41 C42 1.390(9) . ?
C41 C46 1.394(9) . ?
C42 C43 1.391(9) . ?
C42 Cl42 1.742(7) . ?
C43 C44 1.387(11) . ?
C43 Cl43 1.718(8) . ?
C44 C45 1.386(11) . ?
C44 Cl44 1.732(7) . ?
C45 C46 1.388(9) . ?
C45 Cl45 1.716(7) . ?
C46 Cl46 1.739(8) . ?
C51 C52 1.399(9) . ?
C51 C56 1.402(9) . ?
C52 C53 1.399(9) . ?
C52 Cl52 1.745(7) . ?
C53 C54 1.382(10) . ?
C53 Cl53 1.719(7) . ?
C54 C55 1.378(10) . ?
C54 Cl54 1.728(7) . ?
C55 C56 1.407(10) . ?
C55 Cl55 1.719(7) . ?
C56 Cl56 1.731(7) . ?
C61 C62 1.395(10) . ?
C61 C66 1.400(9) . ?
C62 C63 1.393(10) . ?
C62 Cl62 1.741(7) . ?
C63 C64 1.395(11) . ?
C63 Cl63 1.727(8) . ?
C64 C65 1.375(11) . ?
C64 Cl64 1.721(7) . ?
C65 C66 1.389(10) . ?
C65 Cl65 1.731(8) . ?
C66 Cl66 1.742(8) . ?
C71 C76 1.407(10) . ?
C71 C72 1.437(10) . ?
C72 C73 1.379(10) . ?
C72 Cl72 1.739(8) . ?
C73 C74 1.419(12) . ?
C73 Cl73 1.707(8) . ?
C74 C75 1.386(12) . ?
C74 Cl74 1.712(8) . ?
C75 C76 1.393(10) . ?
C75 Cl75 1.715(8) . ?
C76 Cl76 1.719(8) . ?
N1 C84 1.512(10) . ?
N1 C80 1.518(10) . ?
N1 C92 1.519(11) . ?
N1 C88 1.529(10) . ?
C80 C81 1.510(13) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 C82 1.522(14) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.438(17) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 C85 1.500(12) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C86 1.534(14) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 C87 1.484(15) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 C89 1.516(11) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 C90 1.522(12) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 C91 1.515(13) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 C93 1.531(14) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.471(14) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.469(15) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
N2 C96 1.500(11) . ?
N2 C108 1.521(11) . ?
N2 C100 1.522(9) . ?
N2 C104 1.529(11) . ?
C96 C97 1.514(12) . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C97 C98 1.482(14) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 C99 1.426(16) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 C101 1.489(12) . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C101 C102 1.532(12) . ?
C101 H10C 0.9900 . ?
C101 H10D 0.9900 . ?
C102 C103 1.513(13) . ?
C102 H10E 0.9900 . ?
C102 H10F 0.9900 . ?
C103 H10G 0.9800 . ?
C103 H10H 0.9800 . ?
C103 H10I 0.9800 . ?
C104 C105 1.522(14) . ?
C104 H10J 0.9900 . ?
C104 H10K 0.9900 . ?
C105 C106 1.537(16) . ?
C105 H10L 0.9900 . ?
C105 H10M 0.9900 . ?
C106 C107 1.45(2) . ?
C106 H10N 0.9900 . ?
C106 H10O 0.9900 . ?
C107 H10P 0.9800 . ?
C107 H10Q 0.9800 . ?
C107 H10R 0.9800 . ?
C108 C109 1.483(12) . ?
C108 H10S 0.9900 . ?
C108 H10T 0.9900 . ?
C109 C110 1.495(13) . ?
C109 H10U 0.9900 . ?
C109 H10V 0.9900 . ?
C110 C111 1.509(16) . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C111 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
O120 C120 1.192(11) . ?
C120 C122 1.487(12) . ?
C120 C121 1.498(13) . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C122 H12F 0.9800 . ?
O130 C130 1.176(15) . ?
C130 C132 1.495(16) . ?
C130 C131 1.595(16) . ?
C131 H13A 0.9800 . ?
C131 H13B 0.9800 . ?
C131 H13C 0.9800 . ?
C132 H13D 0.9800 . ?
C132 H13E 0.9800 . ?
C132 H13F 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 O4 166.81(19) . . ?
O1 Pt1 C1 86.2(2) . . ?
O4 Pt1 C1 103.2(2) . . ?
O1 Pt1 C11 103.2(2) . . ?
O4 Pt1 C11 85.9(2) . . ?
C1 Pt1 C11 92.5(3) . . ?
O1 Pt1 O2 75.03(18) . . ?
O4 Pt1 O2 94.88(19) . . ?
C1 Pt1 O2 93.9(2) . . ?
C11 Pt1 O2 173.2(2) . . ?
O1 Pt1 O3 94.44(18) . . ?
O4 Pt1 O3 74.96(18) . . ?
C1 Pt1 O3 172.1(2) . . ?
C11 Pt1 O3 95.0(2) . . ?
O2 Pt1 O3 78.67(15) . . ?
C21 Pt2 C31 94.1(3) . . ?
C21 Pt2 O1 94.1(2) . . ?
C31 Pt2 O1 171.7(2) . . ?
C21 Pt2 O2 167.9(2) . . ?
C31 Pt2 O2 98.0(2) . . ?
O1 Pt2 O2 73.78(17) . . ?
C41 Pt3 C51 92.1(3) . . ?
C41 Pt3 O3 91.9(2) . . ?
C51 Pt3 O3 175.2(2) . . ?
C41 Pt3 O2 169.5(2) . . ?
C51 Pt3 O2 97.2(2) . . ?
O3 Pt3 O2 79.16(15) . . ?
C71 Pt4 C61 91.7(3) . . ?
C71 Pt4 O4 93.3(2) . . ?
C61 Pt4 O4 174.6(2) . . ?
C71 Pt4 O3 165.75(19) . . ?
C61 Pt4 O3 101.9(2) . . ?
O4 Pt4 O3 73.25(16) . . ?
Pt1 O1 Pt2 107.1(2) . . ?
Pt2 O2 Pt1 99.89(17) . . ?
Pt2 O2 Pt3 111.92(19) . . ?
Pt1 O2 Pt3 100.93(17) . . ?
Pt3 O3 Pt1 101.19(17) . . ?
Pt3 O3 Pt4 114.01(19) . . ?
Pt1 O3 Pt4 98.25(17) . . ?
Pt1 O4 Pt4 106.1(2) . . ?
C2 C1 C6 115.9(6) . . ?
C2 C1 Pt1 120.4(5) . . ?
C6 C1 Pt1 123.4(5) . . ?
C3 C2 C1 122.4(7) . . ?
C3 C2 Cl2 116.5(6) . . ?
C1 C2 Cl2 121.1(5) . . ?
C4 C3 C2 119.7(7) . . ?
C4 C3 Cl3 119.8(6) . . ?
C2 C3 Cl3 120.5(6) . . ?
C3 C4 C5 119.7(6) . . ?
C3 C4 Cl4 120.2(6) . . ?
C5 C4 Cl4 120.0(6) . . ?
C6 C5 C4 120.2(7) . . ?
C6 C5 Cl5 120.9(6) . . ?
C4 C5 Cl5 118.9(5) . . ?
C5 C6 C1 122.1(7) . . ?
C5 C6 Cl6 115.9(6) . . ?
C1 C6 Cl6 122.0(5) . . ?
C12 C11 C16 114.9(6) . . ?
C12 C11 Pt1 121.6(5) . . ?
C16 C11 Pt1 123.0(5) . . ?
C13 C12 C11 122.4(7) . . ?
C13 C12 Cl12 116.8(6) . . ?
C11 C12 Cl12 120.8(5) . . ?
C14 C13 C12 121.4(7) . . ?
C14 C13 Cl13 118.2(6) . . ?
C12 C13 Cl13 120.3(6) . . ?
C13 C14 C15 118.8(7) . . ?
C13 C14 Cl14 121.1(7) . . ?
C15 C14 Cl14 120.0(6) . . ?
C16 C15 C14 118.7(7) . . ?
C16 C15 Cl15 121.9(6) . . ?
C14 C15 Cl15 119.4(6) . . ?
C15 C16 C11 123.4(7) . . ?
C15 C16 Cl16 115.0(6) . . ?
C11 C16 Cl16 121.6(5) . . ?
C26 C21 C22 114.7(6) . . ?
C26 C21 Pt2 126.1(5) . . ?
C22 C21 Pt2 118.9(5) . . ?
C23 C22 C21 122.9(6) . . ?
C23 C22 Cl22 117.4(5) . . ?
C21 C22 Cl22 119.7(5) . . ?
C22 C23 C24 119.7(7) . . ?
C22 C23 Cl23 120.8(6) . . ?
C24 C23 Cl23 119.5(6) . . ?
C25 C24 C23 119.1(7) . . ?
C25 C24 Cl24 120.9(6) . . ?
C23 C24 Cl24 120.1(6) . . ?
C24 C25 C26 119.9(6) . . ?
C24 C25 Cl25 119.8(6) . . ?
C26 C25 Cl25 120.3(6) . . ?
C21 C26 C25 123.5(7) . . ?
C21 C26 Cl26 118.0(6) . . ?
C25 C26 Cl26 118.5(5) . . ?
C36 C31 C32 113.4(6) . . ?
C36 C31 Pt2 121.3(5) . . ?
C32 C31 Pt2 125.0(5) . . ?
C33 C32 C31 124.4(7) . . ?
C33 C32 Cl32 116.8(6) . . ?
C31 C32 Cl32 118.8(6) . . ?
C32 C33 C34 119.1(7) . . ?
C32 C33 Cl33 122.2(7) . . ?
C34 C33 Cl33 118.7(6) . . ?
C35 C34 C33 118.9(7) . . ?
C35 C34 Cl34 120.6(7) . . ?
C33 C34 Cl34 120.5(6) . . ?
C34 C35 C36 119.8(7) . . ?
C34 C35 Cl35 119.5(6) . . ?
C36 C35 Cl35 120.7(6) . . ?
C35 C36 C31 124.3(7) . . ?
C35 C36 Cl36 116.7(6) . . ?
C31 C36 Cl36 119.0(5) . . ?
C42 C41 C46 115.2(6) . . ?
C42 C41 Pt3 122.2(5) . . ?
C46 C41 Pt3 122.4(5) . . ?
C41 C42 C43 123.0(7) . . ?
C41 C42 Cl42 119.5(5) . . ?
C43 C42 Cl42 117.6(6) . . ?
C44 C43 C42 119.2(7) . . ?
C44 C43 Cl43 120.1(6) . . ?
C42 C43 Cl43 120.7(6) . . ?
C45 C44 C43 120.2(6) . . ?
C45 C44 Cl44 119.8(6) . . ?
C43 C44 Cl44 120.0(6) . . ?
C44 C45 C46 118.3(7) . . ?
C44 C45 Cl45 120.3(5) . . ?
C46 C45 Cl45 121.4(6) . . ?
C45 C46 C41 124.0(7) . . ?
C45 C46 Cl46 117.4(5) . . ?
C41 C46 Cl46 118.6(5) . . ?
C52 C51 C56 114.3(6) . . ?
C52 C51 Pt3 121.9(5) . . ?
C56 C51 Pt3 123.7(5) . . ?
C53 C52 C51 124.0(6) . . ?
C53 C52 Cl52 116.8(5) . . ?
C51 C52 Cl52 119.2(5) . . ?
C54 C53 C52 118.9(7) . . ?
C54 C53 Cl53 120.0(6) . . ?
C52 C53 Cl53 121.0(6) . . ?
C55 C54 C53 120.2(6) . . ?
C55 C54 Cl54 120.0(6) . . ?
C53 C54 Cl54 119.9(6) . . ?
C54 C55 C56 119.3(6) . . ?
C54 C55 Cl55 119.7(6) . . ?
C56 C55 Cl55 120.9(6) . . ?
C51 C56 C55 123.2(7) . . ?
C51 C56 Cl56 119.6(5) . . ?
C55 C56 Cl56 117.2(6) . . ?
C62 C61 C66 113.6(6) . . ?
C62 C61 Pt4 121.7(5) . . ?
C66 C61 Pt4 124.7(5) . . ?
C63 C62 C61 124.5(7) . . ?
C63 C62 Cl62 116.6(6) . . ?
C61 C62 Cl62 119.0(5) . . ?
C62 C63 C64 119.1(7) . . ?
C62 C63 Cl63 121.3(6) . . ?
C64 C63 Cl63 119.6(6) . . ?
C65 C64 C63 118.6(7) . . ?
C65 C64 Cl64 121.4(6) . . ?
C63 C64 Cl64 120.0(7) . . ?
C64 C65 C66 120.4(7) . . ?
C64 C65 Cl65 118.7(6) . . ?
C66 C65 Cl65 120.8(6) . . ?
C65 C66 C61 123.7(7) . . ?
C65 C66 Cl66 116.6(6) . . ?
C61 C66 Cl66 119.7(5) . . ?
C76 C71 C72 113.4(7) . . ?
C76 C71 Pt4 124.4(5) . . ?
C72 C71 Pt4 122.0(5) . . ?
C73 C72 C71 124.3(7) . . ?
C73 C72 Cl72 117.4(6) . . ?
C71 C72 Cl72 118.2(6) . . ?
C72 C73 C74 118.8(7) . . ?
C72 C73 Cl73 122.1(7) . . ?
C74 C73 Cl73 119.0(6) . . ?
C75 C74 C73 119.1(7) . . ?
C75 C74 Cl74 120.8(7) . . ?
C73 C74 Cl74 120.1(7) . . ?
C74 C75 C76 120.3(7) . . ?
C74 C75 Cl75 119.2(6) . . ?
C76 C75 Cl75 120.5(7) . . ?
C75 C76 C71 123.8(7) . . ?
C75 C76 Cl76 118.0(6) . . ?
C71 C76 Cl76 118.1(6) . . ?
C84 N1 C80 110.6(6) . . ?
C84 N1 C92 111.1(7) . . ?
C80 N1 C92 107.1(6) . . ?
C84 N1 C88 107.1(6) . . ?
C80 N1 C88 110.0(6) . . ?
C92 N1 C88 111.0(7) . . ?
C81 C80 N1 117.5(7) . . ?
C81 C80 H80A 107.9 . . ?
N1 C80 H80A 107.9 . . ?
C81 C80 H80B 107.9 . . ?
N1 C80 H80B 107.9 . . ?
H80A C80 H80B 107.2 . . ?
C80 C81 C82 109.2(8) . . ?
C80 C81 H81A 109.9 . . ?
C82 C81 H81A 109.9 . . ?
C80 C81 H81B 109.9 . . ?
C82 C81 H81B 109.9 . . ?
H81A C81 H81B 108.3 . . ?
C83 C82 C81 114.0(12) . . ?
C83 C82 H82A 108.8 . . ?
C81 C82 H82A 108.8 . . ?
C83 C82 H82B 108.8 . . ?
C81 C82 H82B 108.8 . . ?
H82A C82 H82B 107.7 . . ?
C82 C83 H83A 109.5 . . ?
C82 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C82 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C85 C84 N1 117.5(7) . . ?
C85 C84 H84A 107.9 . . ?
N1 C84 H84A 107.9 . . ?
C85 C84 H84B 107.9 . . ?
N1 C84 H84B 107.9 . . ?
H84A C84 H84B 107.2 . . ?
C84 C85 C86 111.6(9) . . ?
C84 C85 H85A 109.3 . . ?
C86 C85 H85A 109.3 . . ?
C84 C85 H85B 109.3 . . ?
C86 C85 H85B 109.3 . . ?
H85A C85 H85B 108.0 . . ?
C87 C86 C85 115.2(10) . . ?
C87 C86 H86A 108.5 . . ?
C85 C86 H86A 108.5 . . ?
C87 C86 H86B 108.5 . . ?
C85 C86 H86B 108.5 . . ?
H86A C86 H86B 107.5 . . ?
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 . . ?
C89 C88 N1 115.5(7) . . ?
C89 C88 H88A 108.4 . . ?
N1 C88 H88A 108.4 . . ?
C89 C88 H88B 108.4 . . ?
N1 C88 H88B 108.4 . . ?
H88A C88 H88B 107.5 . . ?
C88 C89 C90 110.5(7) . . ?
C88 C89 H89A 109.5 . . ?
C90 C89 H89A 109.5 . . ?
C88 C89 H89B 109.5 . . ?
C90 C89 H89B 109.5 . . ?
H89A C89 H89B 108.1 . . ?
C91 C90 C89 113.7(7) . . ?
C91 C90 H90A 108.8 . . ?
C89 C90 H90A 108.8 . . ?
C91 C90 H90B 108.8 . . ?
C89 C90 H90B 108.8 . . ?
H90A C90 H90B 107.7 . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
N1 C92 C93 115.0(7) . . ?
N1 C92 H92A 108.5 . . ?
C93 C92 H92A 108.5 . . ?
N1 C92 H92B 108.5 . . ?
C93 C92 H92B 108.5 . . ?
H92A C92 H92B 107.5 . . ?
C94 C93 C92 114.0(9) . . ?
C94 C93 H93A 108.8 . . ?
C92 C93 H93A 108.8 . . ?
C94 C93 H93B 108.8 . . ?
C92 C93 H93B 108.8 . . ?
H93A C93 H93B 107.7 . . ?
C95 C94 C93 113.8(10) . . ?
C95 C94 H94A 108.8 . . ?
C93 C94 H94A 108.8 . . ?
C95 C94 H94B 108.8 . . ?
C93 C94 H94B 108.8 . . ?
H94A C94 H94B 107.7 . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C96 N2 C108 110.7(6) . . ?
C96 N2 C100 106.1(6) . . ?
C108 N2 C100 110.4(7) . . ?
C96 N2 C104 111.9(7) . . ?
C108 N2 C104 106.8(6) . . ?
C100 N2 C104 111.0(6) . . ?
N2 C96 C97 117.4(7) . . ?
N2 C96 H96A 108.0 . . ?
C97 C96 H96A 108.0 . . ?
N2 C96 H96B 108.0 . . ?
C97 C96 H96B 108.0 . . ?
H96A C96 H96B 107.2 . . ?
C98 C97 C96 111.4(8) . . ?
C98 C97 H97A 109.4 . . ?
C96 C97 H97A 109.4 . . ?
C98 C97 H97B 109.4 . . ?
C96 C97 H97B 109.4 . . ?
H97A C97 H97B 108.0 . . ?
C99 C98 C97 116.2(10) . . ?
C99 C98 H98A 108.2 . . ?
C97 C98 H98A 108.2 . . ?
C99 C98 H98B 108.2 . . ?
C97 C98 H98B 108.2 . . ?
H98A C98 H98B 107.4 . . ?
C98 C99 H99A 109.5 . . ?
C98 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C98 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C101 C100 N2 117.1(7) . . ?
C101 C100 H10A 108.0 . . ?
N2 C100 H10A 108.0 . . ?
C101 C100 H10B 108.0 . . ?
N2 C100 H10B 108.0 . . ?
H10A C100 H10B 107.3 . . ?
C100 C101 C102 110.5(7) . . ?
C100 C101 H10C 109.5 . . ?
C102 C101 H10C 109.5 . . ?
C100 C101 H10D 109.5 . . ?
C102 C101 H10D 109.5 . . ?
H10C C101 H10D 108.1 . . ?
C103 C102 C101 114.2(9) . . ?
C103 C102 H10E 108.7 . . ?
C101 C102 H10E 108.7 . . ?
C103 C102 H10F 108.7 . . ?
C101 C102 H10F 108.7 . . ?
H10E C102 H10F 107.6 . . ?
C102 C103 H10G 109.5 . . ?
C102 C103 H10H 109.5 . . ?
H10G C103 H10H 109.5 . . ?
C102 C103 H10I 109.5 . . ?
H10G C103 H10I 109.5 . . ?
H10H C103 H10I 109.5 . . ?
C105 C104 N2 116.4(8) . . ?
C105 C104 H10J 108.2 . . ?
N2 C104 H10J 108.2 . . ?
C105 C104 H10K 108.2 . . ?
N2 C104 H10K 108.2 . . ?
H10J C104 H10K 107.3 . . ?
C104 C105 C106 109.5(10) . . ?
C104 C105 H10L 109.8 . . ?
C106 C105 H10L 109.8 . . ?
C104 C105 H10M 109.8 . . ?
C106 C105 H10M 109.8 . . ?
H10L C105 H10M 108.2 . . ?
C107 C106 C105 116.1(16) . . ?
C107 C106 H10N 108.3 . . ?
C105 C106 H10N 108.3 . . ?
C107 C106 H10O 108.3 . . ?
C105 C106 H10O 108.3 . . ?
H10N C106 H10O 107.4 . . ?
C106 C107 H10P 109.5 . . ?
C106 C107 H10Q 109.5 . . ?
H10P C107 H10Q 109.5 . . ?
C106 C107 H10R 109.5 . . ?
H10P C107 H10R 109.5 . . ?
H10Q C107 H10R 109.5 . . ?
C109 C108 N2 116.2(7) . . ?
C109 C108 H10S 108.2 . . ?
N2 C108 H10S 108.2 . . ?
C109 C108 H10T 108.2 . . ?
N2 C108 H10T 108.2 . . ?
H10S C108 H10T 107.4 . . ?
C108 C109 C110 112.2(8) . . ?
C108 C109 H10U 109.2 . . ?
C110 C109 H10U 109.2 . . ?
C108 C109 H10V 109.2 . . ?
C110 C109 H10V 109.2 . . ?
H10U C109 H10V 107.9 . . ?
C109 C110 C111 112.0(10) . . ?
C109 C110 H11A 109.2 . . ?
C111 C110 H11A 109.2 . . ?
C109 C110 H11B 109.2 . . ?
C111 C110 H11B 109.2 . . ?
H11A C110 H11B 107.9 . . ?
C110 C111 H11C 109.5 . . ?
C110 C111 H11D 109.5 . . ?
H11C C111 H11D 109.5 . . ?
C110 C111 H11E 109.5 . . ?
H11C C111 H11E 109.5 . . ?
H11D C111 H11E 109.5 . . ?
O120 C120 C122 118.7(11) . . ?
O120 C120 C121 124.9(10) . . ?
C122 C120 C121 116.3(9) . . ?
C120 C121 H12A 109.5 . . ?
C120 C121 H12B 109.5 . . ?
H12A C121 H12B 109.5 . . ?
C120 C121 H12C 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C120 C122 H12D 109.5 . . ?
C120 C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C120 C122 H12F 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
O130 C130 C132 124.2(16) . . ?
O130 C130 C131 115.8(17) . . ?
C132 C130 C131 118.8(14) . . ?
C130 C131 H13A 109.5 . . ?
C130 C131 H13B 109.5 . . ?
H13A C131 H13B 109.5 . . ?
C130 C131 H13C 109.5 . . ?
H13A C131 H13C 109.5 . . ?
H13B C131 H13C 109.5 . . ?
C130 C132 H13D 109.5 . . ?
C130 C132 H13E 109.5 . . ?
H13D C132 H13E 109.5 . . ?
C130 C132 H13F 109.5 . . ?
H13D C132 H13F 109.5 . . ?
H13E C132 H13F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 2.3(10) . . . . ?
Pt1 C1 C2 C3 -171.5(6) . . . . ?
C6 C1 C2 Cl2 -177.7(5) . . . . ?
Pt1 C1 C2 Cl2 8.6(8) . . . . ?
C1 C2 C3 C4 1.0(11) . . . . ?
Cl2 C2 C3 C4 -179.1(6) . . . . ?
C1 C2 C3 Cl3 179.8(6) . . . . ?
Cl2 C2 C3 Cl3 -0.2(9) . . . . ?
C2 C3 C4 C5 -2.9(12) . . . . ?
Cl3 C3 C4 C5 178.3(6) . . . . ?
C2 C3 C4 Cl4 179.0(6) . . . . ?
Cl3 C3 C4 Cl4 0.1(10) . . . . ?
C3 C4 C5 C6 1.5(12) . . . . ?
Cl4 C4 C5 C6 179.6(6) . . . . ?
C3 C4 C5 Cl5 179.5(6) . . . . ?
Cl4 C4 C5 Cl5 -2.3(9) . . . . ?
C4 C5 C6 C1 1.9(11) . . . . ?
Cl5 C5 C6 C1 -176.1(6) . . . . ?
C4 C5 C6 Cl6 -176.6(6) . . . . ?
Cl5 C5 C6 Cl6 5.4(9) . . . . ?
C2 C1 C6 C5 -3.7(10) . . . . ?
Pt1 C1 C6 C5 169.8(6) . . . . ?
C2 C1 C6 Cl6 174.8(5) . . . . ?
Pt1 C1 C6 Cl6 -11.7(9) . . . . ?
C16 C11 C12 C13 3.7(9) . . . . ?
Pt1 C11 C12 C13 -168.9(5) . . . . ?
C16 C11 C12 Cl12 -174.8(5) . . . . ?
Pt1 C11 C12 Cl12 12.5(7) . . . . ?
C11 C12 C13 C14 0.5(10) . . . . ?
Cl12 C12 C13 C14 179.1(5) . . . . ?
C11 C12 C13 Cl13 -178.2(5) . . . . ?
Cl12 C12 C13 Cl13 0.4(8) . . . . ?
C12 C13 C14 C15 -2.8(10) . . . . ?
Cl13 C13 C14 C15 176.0(5) . . . . ?
C12 C13 C14 Cl14 177.5(5) . . . . ?
Cl13 C13 C14 Cl14 -3.7(8) . . . . ?
C13 C14 C15 C16 0.5(9) . . . . ?
Cl14 C14 C15 C16 -179.8(5) . . . . ?
C13 C14 C15 Cl15 180.0(5) . . . . ?
Cl14 C14 C15 Cl15 -0.3(8) . . . . ?
C14 C15 C16 C11 4.1(10) . . . . ?
Cl15 C15 C16 C11 -175.3(5) . . . . ?
C14 C15 C16 Cl16 -174.9(5) . . . . ?
Cl15 C15 C16 Cl16 5.7(7) . . . . ?
C12 C11 C16 C15 -6.1(9) . . . . ?
Pt1 C11 C16 C15 166.4(5) . . . . ?
C12 C11 C16 Cl16 172.8(5) . . . . ?
Pt1 C11 C16 Cl16 -14.7(7) . . . . ?
C26 C21 C22 C23 -2.9(10) . . . . ?
Pt2 C21 C22 C23 -177.0(5) . . . . ?
C26 C21 C22 Cl22 177.6(5) . . . . ?
Pt2 C21 C22 Cl22 3.4(8) . . . . ?
C21 C22 C23 C24 -1.5(11) . . . . ?
Cl22 C22 C23 C24 178.1(6) . . . . ?
C21 C22 C23 Cl23 177.9(5) . . . . ?
Cl22 C22 C23 Cl23 -2.5(8) . . . . ?
C22 C23 C24 C25 3.8(11) . . . . ?
Cl23 C23 C24 C25 -175.6(6) . . . . ?
C22 C23 C24 Cl24 -176.6(5) . . . . ?
Cl23 C23 C24 Cl24 4.0(9) . . . . ?
C23 C24 C25 C26 -1.7(11) . . . . ?
Cl24 C24 C25 C26 178.7(5) . . . . ?
C23 C24 C25 Cl25 177.1(6) . . . . ?
Cl24 C24 C25 Cl25 -2.5(9) . . . . ?
C22 C21 C26 C25 5.2(10) . . . . ?
Pt2 C21 C26 C25 178.8(5) . . . . ?
C22 C21 C26 Cl26 -173.0(5) . . . . ?
Pt2 C21 C26 Cl26 0.7(9) . . . . ?
C24 C25 C26 C21 -3.0(11) . . . . ?
Cl25 C25 C26 C21 178.2(6) . . . . ?
C24 C25 C26 Cl26 175.1(6) . . . . ?
Cl25 C25 C26 Cl26 -3.7(8) . . . . ?
C36 C31 C32 C33 0.1(10) . . . . ?
Pt2 C31 C32 C33 173.4(5) . . . . ?
C36 C31 C32 Cl32 -179.5(5) . . . . ?
Pt2 C31 C32 Cl32 -6.2(8) . . . . ?
C31 C32 C33 C34 -2.3(10) . . . . ?
Cl32 C32 C33 C34 177.3(5) . . . . ?
C31 C32 C33 Cl33 178.1(5) . . . . ?
Cl32 C32 C33 Cl33 -2.2(8) . . . . ?
C32 C33 C34 C35 1.5(10) . . . . ?
Cl33 C33 C34 C35 -178.9(6) . . . . ?
C32 C33 C34 Cl34 -179.3(5) . . . . ?
Cl33 C33 C34 Cl34 0.2(8) . . . . ?
C33 C34 C35 C36 1.4(10) . . . . ?
Cl34 C34 C35 C36 -177.8(6) . . . . ?
C33 C34 C35 Cl35 -177.7(5) . . . . ?
Cl34 C34 C35 Cl35 3.1(9) . . . . ?
C34 C35 C36 C31 -3.8(11) . . . . ?
Cl35 C35 C36 C31 175.3(5) . . . . ?
C34 C35 C36 Cl36 176.6(5) . . . . ?
Cl35 C35 C36 Cl36 -4.4(8) . . . . ?
C32 C31 C36 C35 2.9(10) . . . . ?
Pt2 C31 C36 C35 -170.6(6) . . . . ?
C32 C31 C36 Cl36 -177.4(5) . . . . ?
Pt2 C31 C36 Cl36 9.1(8) . . . . ?
C46 C41 C42 C43 4.5(11) . . . . ?
Pt3 C41 C42 C43 179.2(6) . . . . ?
C46 C41 C42 Cl42 -175.0(5) . . . . ?
Pt3 C41 C42 Cl42 -0.3(8) . . . . ?
C41 C42 C43 C44 -2.2(12) . . . . ?
Cl42 C42 C43 C44 177.3(6) . . . . ?
C41 C42 C43 Cl43 176.7(6) . . . . ?
Cl42 C42 C43 Cl43 -3.9(9) . . . . ?
C42 C43 C44 C45 -1.2(12) . . . . ?
Cl43 C43 C44 C45 179.9(6) . . . . ?
C42 C43 C44 Cl44 -179.4(6) . . . . ?
Cl43 C43 C44 Cl44 1.7(10) . . . . ?
C43 C44 C45 C46 2.0(11) . . . . ?
Cl44 C44 C45 C46 -179.8(6) . . . . ?
C43 C44 C45 Cl45 -177.3(6) . . . . ?
Cl44 C44 C45 Cl45 0.9(9) . . . . ?
C44 C45 C46 C41 0.5(11) . . . . ?
Cl45 C45 C46 C41 179.8(6) . . . . ?
C44 C45 C46 Cl46 -179.5(6) . . . . ?
Cl45 C45 C46 Cl46 -0.2(9) . . . . ?
C42 C41 C46 C45 -3.6(10) . . . . ?
Pt3 C41 C46 C45 -178.3(5) . . . . ?
C42 C41 C46 Cl46 176.4(5) . . . . ?
Pt3 C41 C46 Cl46 1.7(8) . . . . ?
C56 C51 C52 C53 1.8(9) . . . . ?
Pt3 C51 C52 C53 -178.2(5) . . . . ?
C56 C51 C52 Cl52 -177.6(5) . . . . ?
Pt3 C51 C52 Cl52 2.4(7) . . . . ?
C51 C52 C53 C54 -0.2(10) . . . . ?
Cl52 C52 C53 C54 179.2(5) . . . . ?
C51 C52 C53 Cl53 178.8(5) . . . . ?
Cl52 C52 C53 Cl53 -1.7(8) . . . . ?
C52 C53 C54 C55 -1.8(10) . . . . ?
Cl53 C53 C54 C55 179.1(5) . . . . ?
C52 C53 C54 Cl54 176.9(5) . . . . ?
Cl53 C53 C54 Cl54 -2.2(8) . . . . ?
C53 C54 C55 C56 2.1(10) . . . . ?
Cl54 C54 C55 C56 -176.6(5) . . . . ?
C53 C54 C55 Cl55 179.2(5) . . . . ?
Cl54 C54 C55 Cl55 0.5(8) . . . . ?
C52 C51 C56 C55 -1.5(10) . . . . ?
Pt3 C51 C56 C55 178.5(5) . . . . ?
C52 C51 C56 Cl56 178.7(5) . . . . ?
Pt3 C51 C56 Cl56 -1.4(8) . . . . ?
C54 C55 C56 C51 -0.4(10) . . . . ?
Cl55 C55 C56 C51 -177.4(5) . . . . ?
C54 C55 C56 Cl56 179.5(5) . . . . ?
Cl55 C55 C56 Cl56 2.4(8) . . . . ?
C66 C61 C62 C63 1.3(11) . . . . ?
Pt4 C61 C62 C63 -177.1(6) . . . . ?
C66 C61 C62 Cl62 -178.4(5) . . . . ?
Pt4 C61 C62 Cl62 3.2(8) . . . . ?
C61 C62 C63 C64 -2.3(12) . . . . ?
Cl62 C62 C63 C64 177.4(6) . . . . ?
C61 C62 C63 Cl63 177.6(6) . . . . ?
Cl62 C62 C63 Cl63 -2.8(9) . . . . ?
C62 C63 C64 C65 1.9(12) . . . . ?
Cl63 C63 C64 C65 -178.0(6) . . . . ?
C62 C63 C64 Cl64 -177.7(6) . . . . ?
Cl63 C63 C64 Cl64 2.4(10) . . . . ?
C63 C64 C65 C66 -0.6(12) . . . . ?
Cl64 C64 C65 C66 179.0(6) . . . . ?
C63 C64 C65 Cl65 -178.1(6) . . . . ?
Cl64 C64 C65 Cl65 1.5(10) . . . . ?
C64 C65 C66 C61 -0.4(12) . . . . ?
Cl65 C65 C66 C61 177.1(6) . . . . ?
C64 C65 C66 Cl66 177.9(6) . . . . ?
Cl65 C65 C66 Cl66 -4.7(9) . . . . ?
C62 C61 C66 C65 0.1(10) . . . . ?
Pt4 C61 C66 C65 178.4(6) . . . . ?
C62 C61 C66 Cl66 -178.1(5) . . . . ?
Pt4 C61 C66 Cl66 0.2(9) . . . . ?
C76 C71 C72 C73 -5.8(10) . . . . ?
Pt4 C71 C72 C73 179.9(6) . . . . ?
C76 C71 C72 Cl72 176.8(5) . . . . ?
Pt4 C71 C72 Cl72 2.5(7) . . . . ?
C71 C72 C73 C74 4.1(11) . . . . ?
Cl72 C72 C73 C74 -178.5(5) . . . . ?
C71 C72 C73 Cl73 -178.0(5) . . . . ?
Cl72 C72 C73 Cl73 -0.6(9) . . . . ?
C72 C73 C74 C75 1.0(11) . . . . ?
Cl73 C73 C74 C75 -176.9(6) . . . . ?
C72 C73 C74 Cl74 -179.4(6) . . . . ?
Cl73 C73 C74 Cl74 2.6(9) . . . . ?
C73 C74 C75 C76 -4.0(11) . . . . ?
Cl74 C74 C75 C76 176.4(6) . . . . ?
C73 C74 C75 Cl75 178.3(6) . . . . ?
Cl74 C74 C75 Cl75 -1.3(9) . . . . ?
C74 C75 C76 C71 2.1(11) . . . . ?
Cl75 C75 C76 C71 179.8(5) . . . . ?
C74 C75 C76 Cl76 179.3(6) . . . . ?
Cl75 C75 C76 Cl76 -3.0(8) . . . . ?
C72 C71 C76 C75 2.6(9) . . . . ?
Pt4 C71 C76 C75 176.8(5) . . . . ?
C72 C71 C76 Cl76 -174.6(5) . . . . ?
Pt4 C71 C76 Cl76 -0.4(8) . . . . ?
C84 N1 C80 C81 -61.4(10) . . . . ?
C92 N1 C80 C81 177.4(8) . . . . ?
C88 N1 C80 C81 56.6(9) . . . . ?
N1 C80 C81 C82 175.9(9) . . . . ?
C80 C81 C82 C83 168.7(11) . . . . ?
C80 N1 C84 C85 -54.0(11) . . . . ?
C92 N1 C84 C85 64.8(10) . . . . ?
C88 N1 C84 C85 -173.9(8) . . . . ?
N1 C84 C85 C86 -173.8(9) . . . . ?
C84 C85 C86 C87 70.5(13) . . . . ?
C84 N1 C88 C89 176.7(7) . . . . ?
C80 N1 C88 C89 56.5(9) . . . . ?
C92 N1 C88 C89 -61.9(9) . . . . ?
N1 C88 C89 C90 175.6(7) . . . . ?
C88 C89 C90 C91 57.6(11) . . . . ?
C84 N1 C92 C93 66.0(11) . . . . ?
C80 N1 C92 C93 -173.2(9) . . . . ?
C88 N1 C92 C93 -53.0(11) . . . . ?
N1 C92 C93 C94 -178.7(10) . . . . ?
C92 C93 C94 C95 -179.8(12) . . . . ?
C108 N2 C96 C97 -61.3(10) . . . . ?
C100 N2 C96 C97 179.0(8) . . . . ?
C104 N2 C96 C97 57.7(10) . . . . ?
N2 C96 C97 C98 178.2(8) . . . . ?
C96 C97 C98 C99 -63.6(15) . . . . ?
C96 N2 C100 C101 175.8(8) . . . . ?
C108 N2 C100 C101 55.9(10) . . . . ?
C104 N2 C100 C101 -62.4(10) . . . . ?
N2 C100 C101 C102 -162.5(8) . . . . ?
C100 C101 C102 C103 179.8(8) . . . . ?
C96 N2 C104 C105 55.6(10) . . . . ?
C108 N2 C104 C105 176.8(8) . . . . ?
C100 N2 C104 C105 -62.8(11) . . . . ?
N2 C104 C105 C106 178.7(10) . . . . ?
C104 C105 C106 C107 179.1(15) . . . . ?
C96 N2 C108 C109 -63.2(10) . . . . ?
C100 N2 C108 C109 54.0(10) . . . . ?
C104 N2 C108 C109 174.8(8) . . . . ?
N2 C108 C109 C110 -176.2(8) . . . . ?
C108 C109 C110 C111 176.7(10) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C80 H80B Cl52 0.99 2.86 3.489(9) 121.7 .
C88 H88B Cl26 0.99 2.94 3.857(9) 154.9 3_655
C89 H89B O130 0.99 2.66 3.517(18) 145.1 .
C93 H93A Cl35 0.99 2.86 3.555(12) 127.8 3_655
C96 H96A O120 0.99 2.37 3.226(11) 144.8 .
C96 H96B Cl13 0.99 2.87 3.791(9) 155.0 .
C100 H10A O120 0.99 2.52 3.301(12) 135.7 .
C108 H10T Cl56 0.99 2.93 3.889(9) 163.2 2_665
C121 H12C Cl13 0.98 2.82 3.686(11) 147.2 .
C122 H12D Cl24 0.98 2.90 3.866(12) 167.4 2_655
C122 H12E Cl43 0.98 2.96 3.449(11) 112.2 1_545

_refine_diff_density_max         1.840
_refine_diff_density_min         -0.635
_refine_diff_density_rms         0.102

