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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/. 
# 
# Audit and citation data items have may 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_ko9
_database_code_depnum_ccdc_archive 'CCDC 1013934'
_audit_update_record             
;
2014-07-14 deposited with the CCDC.
2014-12-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H32 N2 O3 Pt'
_chemical_formula_weight         615.63

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

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.5714(11)
_cell_length_b                   10.4125(13)
_cell_length_c                   14.2062(18)
_cell_angle_alpha                77.8100(10)
_cell_angle_beta                 78.4930(10)
_cell_angle_gamma                82.4880(10)
_cell_volume                     1209.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    8308
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      27.08

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             608
_exptl_absorpt_coefficient_mu    5.831
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.3884
_exptl_absorpt_correction_T_max  0.7592
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12953
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.49
_diffrn_reflns_theta_max         26.50
_reflns_number_total             4962
_reflns_number_gt                4622
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0180P)²+0.2000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4962
_refine_ls_number_parameters     300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0211
_refine_ls_R_factor_gt           0.0185
_refine_ls_wR_factor_ref         0.0410
_refine_ls_wR_factor_gt          0.0400
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_restrained_S_all      1.106
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.792609(12) 0.084501(10) 0.152988(7) 0.02182(4) Uani 1 1 d . . .
O1 O 0.7928(2) 0.09942(19) 0.29358(13) 0.0292(4) Uani 1 1 d . . .
O2 O 0.9347(2) 0.24096(18) 0.10625(13) 0.0262(4) Uani 1 1 d . . .
O3 O 0.5158(3) 0.3125(2) 0.08335(19) 0.0496(6) Uani 1 1 d . . .
H3 H 0.5852 0.2493 0.0951 0.060 Uiso 1 1 calc R . .
N1 N 0.7049(3) -0.0584(2) 0.02514(17) 0.0242(5) Uani 1 1 d . . .
N2 N 0.8291(3) 0.0999(2) -0.07013(16) 0.0244(5) Uani 1 1 d . . .
C1 C 0.7812(3) 0.0486(3) 0.0252(2) 0.0233(6) Uani 1 1 d . . .
C2 C 0.7839(3) 0.0248(3) -0.1282(2) 0.0295(6) Uani 1 1 d . . .
H2A H 0.8048 0.0405 -0.1977 0.035 Uiso 1 1 calc R . .
C3 C 0.7057(3) -0.0734(3) -0.0696(2) 0.0270(6) Uani 1 1 d . . .
H3A H 0.6600 -0.1399 -0.0889 0.032 Uiso 1 1 calc R . .
C4 C 0.9123(4) 0.2189(3) -0.1072(2) 0.0324(7) Uani 1 1 d . . .
H4A H 0.9307 0.2544 -0.0522 0.049 Uiso 1 1 calc R . .
H4B H 0.8470 0.2848 -0.1466 0.049 Uiso 1 1 calc R . .
H4C H 1.0152 0.1973 -0.1479 0.049 Uiso 1 1 calc R . .
C5 C 0.6575(3) -0.0665(3) 0.1943(2) 0.0247(6) Uani 1 1 d . . .
C6 C 0.5850(3) -0.1204(3) 0.2885(2) 0.0289(6) Uani 1 1 d . . .
H6A H 0.5980 -0.0844 0.3423 0.035 Uiso 1 1 calc R . .
C7 C 0.4933(3) -0.2267(3) 0.3047(2) 0.0311(7) Uani 1 1 d . . .
H7A H 0.4431 -0.2613 0.3694 0.037 Uiso 1 1 calc R . .
C8 C 0.4742(3) -0.2828(3) 0.2282(2) 0.0316(7) Uani 1 1 d . . .
H8A H 0.4121 -0.3557 0.2407 0.038 Uiso 1 1 calc R . .
C9 C 0.5460(3) -0.2323(3) 0.1325(2) 0.0275(6) Uani 1 1 d . . .
H9A H 0.5348 -0.2697 0.0790 0.033 Uiso 1 1 calc R . .
C10 C 0.6338(3) -0.1256(3) 0.1189(2) 0.0239(6) Uani 1 1 d . . .
C11 C 0.8463(4) 0.1602(3) 0.4323(2) 0.0390(8) Uani 1 1 d . . .
H11A H 0.7667 0.0972 0.4624 0.058 Uiso 1 1 calc R . .
H11B H 0.8085 0.2456 0.4514 0.058 Uiso 1 1 calc R . .
H11C H 0.9478 0.1272 0.4546 0.058 Uiso 1 1 calc R . .
C12 C 0.8707(3) 0.1765(3) 0.3226(2) 0.0258(6) Uani 1 1 d . . .
C13 C 0.9713(3) 0.2702(3) 0.2635(2) 0.0229(6) Uani 1 1 d . . .
C14 C 0.9969(3) 0.2960(3) 0.1600(2) 0.0242(6) Uani 1 1 d . . .
C15 C 1.1063(4) 0.3992(3) 0.1034(2) 0.0316(7) Uani 1 1 d . . .
H15A H 1.1223 0.3973 0.0335 0.047 Uiso 1 1 calc R . .
H15B H 1.2096 0.3809 0.1255 0.047 Uiso 1 1 calc R . .
H15C H 1.0579 0.4866 0.1145 0.047 Uiso 1 1 calc R . .
C16 C 1.0552(3) 0.3494(3) 0.31268(19) 0.0247(6) Uani 1 1 d . . .
C17 C 1.2019(3) 0.2974(3) 0.3409(2) 0.0273(6) Uani 1 1 d . . .
C18 C 1.2805(3) 0.3749(3) 0.3834(2) 0.0309(7) Uani 1 1 d . . .
C19 C 1.2126(4) 0.4987(3) 0.3957(2) 0.0339(7) Uani 1 1 d . . .
H19A H 1.2672 0.5498 0.4245 0.041 Uiso 1 1 calc R . .
C20 C 1.0671(4) 0.5525(3) 0.3679(2) 0.0301(7) Uani 1 1 d . . .
C21 C 0.9858(3) 0.4760(3) 0.3271(2) 0.0259(6) Uani 1 1 d . . .
C22 C 1.2765(4) 0.1624(3) 0.3261(2) 0.0391(8) Uani 1 1 d . . .
H22A H 1.2024 0.1185 0.3019 0.059 Uiso 1 1 calc R . .
H22B H 1.2997 0.1100 0.3885 0.059 Uiso 1 1 calc R . .
H22C H 1.3761 0.1708 0.2783 0.059 Uiso 1 1 calc R . .
C23 C 1.4381(4) 0.3219(4) 0.4177(3) 0.0505(9) Uani 1 1 d . . .
H23A H 1.4799 0.3914 0.4399 0.076 Uiso 1 1 calc R . .
H23B H 1.5153 0.2937 0.3634 0.076 Uiso 1 1 calc R . .
H23C H 1.4204 0.2465 0.4718 0.076 Uiso 1 1 calc R . .
C24 C 1.0016(4) 0.6901(3) 0.3833(2) 0.0416(8) Uani 1 1 d . . .
H24A H 0.9476 0.7349 0.3290 0.062 Uiso 1 1 calc R . .
H24B H 1.0896 0.7399 0.3858 0.062 Uiso 1 1 calc R . .
H24C H 0.9252 0.6845 0.4450 0.062 Uiso 1 1 calc R . .
C25 C 0.8248(4) 0.5295(3) 0.3001(2) 0.0382(8) Uani 1 1 d . . .
H25A H 0.7778 0.4604 0.2806 0.057 Uiso 1 1 calc R . .
H25B H 0.8381 0.6048 0.2455 0.057 Uiso 1 1 calc R . .
H25C H 0.7539 0.5581 0.3566 0.057 Uiso 1 1 calc R . .
C26 C 0.5467(4) 0.4212(3) 0.1200(3) 0.0451(9) Uani 1 1 d . . .
H26A H 0.4756 0.4987 0.0981 0.089(15) Uiso 1 1 calc R . .
H26B H 0.6582 0.4400 0.0957 0.100(16) Uiso 1 1 calc R . .
H26C H 0.5276 0.4001 0.1917 0.115(19) Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 1.953(3) . ?
Pt1 C5 1.993(3) . ?
Pt1 O1 2.0360(18) . ?
Pt1 O2 2.0779(18) . ?
O1 C12 1.284(3) . ?
O2 C14 1.274(3) . ?
O3 C26 1.416(4) . ?
O3 H3 0.8400 . ?
N1 C1 1.364(3) . ?
N1 C3 1.386(3) . ?
N1 C10 1.424(3) . ?
N2 C1 1.348(3) . ?
N2 C2 1.387(3) . ?
N2 C4 1.458(3) . ?
C2 C3 1.336(4) . ?
C2 H2A 0.9500 . ?
C3 H3A 0.9500 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.391(4) . ?
C5 C10 1.402(4) . ?
C6 C7 1.394(4) . ?
C6 H6A 0.9500 . ?
C7 C8 1.384(4) . ?
C7 H7A 0.9500 . ?
C8 C9 1.397(4) . ?
C8 H8A 0.9500 . ?
C9 C10 1.381(4) . ?
C9 H9A 0.9500 . ?
C11 C12 1.507(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.409(4) . ?
C13 C14 1.414(4) . ?
C13 C16 1.512(3) . ?
C14 C15 1.510(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.402(4) . ?
C16 C21 1.412(4) . ?
C17 C18 1.408(4) . ?
C17 C22 1.505(4) . ?
C18 C19 1.374(4) . ?
C18 C23 1.523(4) . ?
C19 C20 1.395(4) . ?
C19 H19A 0.9500 . ?
C20 C21 1.399(4) . ?
C20 C24 1.512(4) . ?
C21 C25 1.511(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 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
C1 Pt1 C5 79.99(11) . . ?
C1 Pt1 O1 172.68(9) . . ?
C5 Pt1 O1 92.87(9) . . ?
C1 Pt1 O2 98.55(9) . . ?
C5 Pt1 O2 178.51(9) . . ?
O1 Pt1 O2 88.59(7) . . ?
C12 O1 Pt1 127.17(18) . . ?
C14 O2 Pt1 126.59(18) . . ?
C26 O3 H3 109.5 . . ?
C1 N1 C3 110.9(2) . . ?
C1 N1 C10 115.6(2) . . ?
C3 N1 C10 133.3(2) . . ?
C1 N2 C2 110.0(2) . . ?
C1 N2 C4 125.3(2) . . ?
C2 N2 C4 124.7(2) . . ?
N2 C1 N1 104.9(2) . . ?
N2 C1 Pt1 138.5(2) . . ?
N1 C1 Pt1 116.6(2) . . ?
C3 C2 N2 108.2(2) . . ?
C3 C2 H2A 125.9 . . ?
N2 C2 H2A 125.9 . . ?
C2 C3 N1 106.0(2) . . ?
C2 C3 H3A 127.0 . . ?
N1 C3 H3A 127.0 . . ?
N2 C4 H4A 109.5 . . ?
N2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C10 116.3(2) . . ?
C6 C5 Pt1 128.0(2) . . ?
C10 C5 Pt1 115.7(2) . . ?
C5 C6 C7 120.6(3) . . ?
C5 C6 H6A 119.7 . . ?
C7 C6 H6A 119.7 . . ?
C8 C7 C6 121.1(3) . . ?
C8 C7 H7A 119.4 . . ?
C6 C7 H7A 119.4 . . ?
C7 C8 C9 120.1(3) . . ?
C7 C8 H8A 119.9 . . ?
C9 C8 H8A 119.9 . . ?
C10 C9 C8 117.2(3) . . ?
C10 C9 H9A 121.4 . . ?
C8 C9 H9A 121.4 . . ?
C9 C10 C5 124.6(3) . . ?
C9 C10 N1 123.5(2) . . ?
C5 C10 N1 111.8(2) . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O1 C12 C13 127.1(3) . . ?
O1 C12 C11 113.4(2) . . ?
C13 C12 C11 119.5(2) . . ?
C12 C13 C14 123.6(2) . . ?
C12 C13 C16 118.6(2) . . ?
C14 C13 C16 117.8(2) . . ?
O2 C14 C13 126.6(2) . . ?
O2 C14 C15 113.9(2) . . ?
C13 C14 C15 119.5(2) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 121.4(2) . . ?
C17 C16 C13 119.5(2) . . ?
C21 C16 C13 119.1(2) . . ?
C16 C17 C18 118.5(3) . . ?
C16 C17 C22 121.7(3) . . ?
C18 C17 C22 119.8(3) . . ?
C19 C18 C17 119.5(3) . . ?
C19 C18 C23 119.8(3) . . ?
C17 C18 C23 120.6(3) . . ?
C18 C19 C20 122.9(3) . . ?
C18 C19 H19A 118.5 . . ?
C20 C19 H19A 118.5 . . ?
C19 C20 C21 118.4(3) . . ?
C19 C20 C24 119.5(3) . . ?
C21 C20 C24 122.2(3) . . ?
C20 C21 C16 119.3(3) . . ?
C20 C21 C25 119.5(3) . . ?
C16 C21 C25 121.2(2) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 H24A 109.5 . . ?
C20 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C20 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25A 109.5 . . ?
C21 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C21 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O3 C26 H26A 109.5 . . ?
O3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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
C1 Pt1 O1 C12 162.6(7) . . . . ?
C5 Pt1 O1 C12 175.0(2) . . . . ?
O2 Pt1 O1 C12 -4.6(2) . . . . ?
C1 Pt1 O2 C14 -171.5(2) . . . . ?
C5 Pt1 O2 C14 -161(3) . . . . ?
O1 Pt1 O2 C14 6.8(2) . . . . ?
C2 N2 C1 N1 -0.4(3) . . . . ?
C4 N2 C1 N1 178.0(2) . . . . ?
C2 N2 C1 Pt1 179.3(2) . . . . ?
C4 N2 C1 Pt1 -2.3(5) . . . . ?
C3 N1 C1 N2 0.1(3) . . . . ?
C10 N1 C1 N2 -176.3(2) . . . . ?
C3 N1 C1 Pt1 -179.71(18) . . . . ?
C10 N1 C1 Pt1 3.9(3) . . . . ?
C5 Pt1 C1 N2 175.7(3) . . . . ?
O1 Pt1 C1 N2 -171.7(6) . . . . ?
O2 Pt1 C1 N2 -4.6(3) . . . . ?
C5 Pt1 C1 N1 -4.6(2) . . . . ?
O1 Pt1 C1 N1 8.0(9) . . . . ?
O2 Pt1 C1 N1 175.11(19) . . . . ?
C1 N2 C2 C3 0.7(3) . . . . ?
C4 N2 C2 C3 -177.8(3) . . . . ?
N2 C2 C3 N1 -0.6(3) . . . . ?
C1 N1 C3 C2 0.3(3) . . . . ?
C10 N1 C3 C2 175.8(3) . . . . ?
C1 Pt1 C5 C6 -175.8(3) . . . . ?
O1 Pt1 C5 C6 5.8(3) . . . . ?
O2 Pt1 C5 C6 174(3) . . . . ?
C1 Pt1 C5 C10 4.6(2) . . . . ?
O1 Pt1 C5 C10 -173.8(2) . . . . ?
O2 Pt1 C5 C10 -6(4) . . . . ?
C10 C5 C6 C7 -0.5(4) . . . . ?
Pt1 C5 C6 C7 179.9(2) . . . . ?
C5 C6 C7 C8 1.1(4) . . . . ?
C6 C7 C8 C9 -0.6(4) . . . . ?
C7 C8 C9 C10 -0.4(4) . . . . ?
C8 C9 C10 C5 1.0(4) . . . . ?
C8 C9 C10 N1 -175.7(3) . . . . ?
C6 C5 C10 C9 -0.5(4) . . . . ?
Pt1 C5 C10 C9 179.1(2) . . . . ?
C6 C5 C10 N1 176.5(2) . . . . ?
Pt1 C5 C10 N1 -3.8(3) . . . . ?
C1 N1 C10 C9 177.1(3) . . . . ?
C3 N1 C10 C9 1.7(5) . . . . ?
C1 N1 C10 C5 0.0(3) . . . . ?
C3 N1 C10 C5 -175.3(3) . . . . ?
Pt1 O1 C12 C13 1.5(4) . . . . ?
Pt1 O1 C12 C11 -178.78(19) . . . . ?
O1 C12 C13 C14 2.1(5) . . . . ?
C11 C12 C13 C14 -177.6(3) . . . . ?
O1 C12 C13 C16 -178.7(3) . . . . ?
C11 C12 C13 C16 1.6(4) . . . . ?
Pt1 O2 C14 C13 -6.0(4) . . . . ?
Pt1 O2 C14 C15 174.79(17) . . . . ?
C12 C13 C14 O2 0.4(4) . . . . ?
C16 C13 C14 O2 -178.8(3) . . . . ?
C12 C13 C14 C15 179.6(3) . . . . ?
C16 C13 C14 C15 0.4(4) . . . . ?
C12 C13 C16 C17 85.7(3) . . . . ?
C14 C13 C16 C17 -95.0(3) . . . . ?
C12 C13 C16 C21 -95.8(3) . . . . ?
C14 C13 C16 C21 83.4(3) . . . . ?
C21 C16 C17 C18 -0.7(4) . . . . ?
C13 C16 C17 C18 177.8(2) . . . . ?
C21 C16 C17 C22 179.8(3) . . . . ?
C13 C16 C17 C22 -1.8(4) . . . . ?
C16 C17 C18 C19 -0.3(4) . . . . ?
C22 C17 C18 C19 179.3(3) . . . . ?
C16 C17 C18 C23 178.5(3) . . . . ?
C22 C17 C18 C23 -1.9(4) . . . . ?
C17 C18 C19 C20 0.1(4) . . . . ?
C23 C18 C19 C20 -178.7(3) . . . . ?
C18 C19 C20 C21 1.1(4) . . . . ?
C18 C19 C20 C24 -179.5(3) . . . . ?
C19 C20 C21 C16 -2.0(4) . . . . ?
C24 C20 C21 C16 178.6(3) . . . . ?
C19 C20 C21 C25 177.5(3) . . . . ?
C24 C20 C21 C25 -1.9(4) . . . . ?
C17 C16 C21 C20 1.8(4) . . . . ?
C13 C16 C21 C20 -176.6(2) . . . . ?
C17 C16 C21 C25 -177.7(3) . . . . ?
C13 C16 C21 C25 3.9(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.705
_refine_diff_density_min         -0.390
_refine_diff_density_rms         0.087

####################################################################### 
# 
# 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/. 
# 
# Audit and citation data items have may 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_ko9a
_database_code_depnum_ccdc_archive 'CCDC 1013976'
_audit_update_record             
;
2014-07-14 deposited with the CCDC.
2014-12-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C84 H108 N6 O6 Pt3 Si3'
_chemical_formula_weight         1967.30

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   24.1524(8)
_cell_length_b                   13.0815(4)
_cell_length_c                   27.3864(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.612(2)
_cell_angle_gamma                90.00
_cell_volume                     8475.6(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    9917
_cell_measurement_theta_min      2.17
_cell_measurement_theta_max      27.66

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3912
_exptl_absorpt_coefficient_mu    5.034
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3533
_exptl_absorpt_correction_T_max  0.4207
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            74804
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_sigmaI/netI    0.0530
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.03
_diffrn_reflns_theta_max         26.73
_reflns_number_total             17996
_reflns_number_gt                14262
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0600P)²+110.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         17996
_refine_ls_number_parameters     949
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0837
_refine_ls_R_factor_gt           0.0645
_refine_ls_wR_factor_ref         0.1648
_refine_ls_wR_factor_gt          0.1563
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_restrained_S_all      1.135
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.872446(16) 0.61289(3) 0.937786(14) 0.03020(11) Uani 1 1 d . . .
Pt2 Pt 0.782700(16) 0.45738(3) 0.355849(13) 0.02700(10) Uani 1 1 d . . .
Pt3 Pt 0.936994(15) 0.11672(3) 0.209065(14) 0.02663(10) Uani 1 1 d . . .
Si1 Si 0.77286(13) 0.6965(3) 0.72736(10) 0.0359(7) Uani 1 1 d . . .
Si2 Si 0.83229(13) 0.3583(2) 0.56890(10) 0.0349(7) Uani 1 1 d . . .
Si3 Si 1.03154(13) 0.1780(2) 0.42253(11) 0.0362(7) Uani 1 1 d . . .
O1 O 0.7893(3) 0.5771(6) 0.9202(2) 0.0329(16) Uani 1 1 d . . .
O2 O 0.8716(3) 0.5674(6) 1.0103(3) 0.0412(19) Uani 1 1 d . . .
O3 O 0.8637(3) 0.4888(6) 0.3903(2) 0.0327(16) Uani 1 1 d . . .
O4 O 0.8029(3) 0.5098(6) 0.2900(2) 0.0369(17) Uani 1 1 d . . .
O5 O 1.0155(3) 0.0575(5) 0.2294(2) 0.0299(15) Uani 1 1 d . . .
O6 O 0.9366(3) 0.0647(6) 0.1369(3) 0.0361(17) Uani 1 1 d . . .
N1 N 0.9974(4) 0.6591(9) 0.9823(4) 0.052(3) Uani 1 1 d . . .
N2 N 0.9685(4) 0.6861(7) 0.9038(3) 0.037(2) Uani 1 1 d . . .
N3 N 0.6667(4) 0.4132(7) 0.2877(3) 0.035(2) Uani 1 1 d . . .
N4 N 0.6780(3) 0.3696(7) 0.3647(3) 0.0327(19) Uani 1 1 d . . .
N5 N 0.8206(4) 0.2002(7) 0.1596(3) 0.040(2) Uani 1 1 d . . .
N6 N 0.8482(4) 0.2277(7) 0.2381(3) 0.037(2) Uani 1 1 d . . .
C1 C 0.9511(4) 0.6517(9) 0.9451(4) 0.035(2) Uani 1 1 d . . .
C2 C 1.0423(5) 0.6979(12) 0.9633(5) 0.063(4) Uani 1 1 d . . .
H2A H 1.0794 0.7098 0.9820 0.075 Uiso 1 1 calc R . .
C3 C 1.0253(5) 0.7158(10) 0.9150(5) 0.050(3) Uani 1 1 d . . .
H3A H 1.0470 0.7431 0.8928 0.060 Uiso 1 1 calc R . .
C4 C 1.0003(6) 0.6286(14) 1.0337(5) 0.075(5) Uani 1 1 d . . .
H4A H 0.9645 0.5966 1.0369 0.112 Uiso 1 1 calc R . .
H4B H 1.0071 0.6889 1.0553 0.112 Uiso 1 1 calc R . .
H4C H 1.0312 0.5796 1.0436 0.112 Uiso 1 1 calc R . .
C5 C 0.9261(4) 0.6914(7) 0.8596(4) 0.030(2) Uani 1 1 d . . .
C6 C 0.8746(4) 0.6548(7) 0.8697(3) 0.026(2) Uani 1 1 d . . .
C7 C 0.8293(4) 0.6594(8) 0.8270(3) 0.029(2) Uani 1 1 d . . .
H7A H 0.7930 0.6368 0.8308 0.035 Uiso 1 1 calc R . .
C8 C 0.8352(4) 0.6955(8) 0.7795(4) 0.032(2) Uani 1 1 d . . .
C9 C 0.8882(5) 0.7294(8) 0.7751(4) 0.037(2) Uani 1 1 d . . .
H9A H 0.8933 0.7563 0.7441 0.045 Uiso 1 1 calc R . .
C10 C 0.9343(4) 0.7252(8) 0.8149(4) 0.036(2) Uani 1 1 d . . .
H10A H 0.9707 0.7458 0.8108 0.043 Uiso 1 1 calc R . .
C11 C 0.6986(4) 0.5160(9) 0.9228(4) 0.038(2) Uani 1 1 d . . .
H11A H 0.6954 0.5202 0.8867 0.056 Uiso 1 1 calc R . .
H11B H 0.6741 0.5677 0.9335 0.056 Uiso 1 1 calc R . .
H11C H 0.6869 0.4479 0.9317 0.056 Uiso 1 1 calc R . .
C12 C 0.7590(4) 0.5348(8) 0.9485(4) 0.030(2) Uani 1 1 d . . .
C13 C 0.7758(5) 0.5090(8) 0.9988(4) 0.034(2) Uani 1 1 d . . .
C14 C 0.8313(5) 0.5270(9) 1.0269(4) 0.044(3) Uani 1 1 d . . .
C15 C 0.8453(6) 0.4967(13) 1.0815(4) 0.064(4) Uani 1 1 d . . .
H15A H 0.8852 0.4775 1.0907 0.096 Uiso 1 1 calc R . .
H15B H 0.8217 0.4385 1.0870 0.096 Uiso 1 1 calc R . .
H15C H 0.8379 0.5545 1.1020 0.096 Uiso 1 1 calc R . .
C16 C 0.7336(5) 0.4535(8) 1.0236(4) 0.034(2) Uani 1 1 d . . .
C17 C 0.7261(5) 0.3489(8) 1.0162(4) 0.035(2) Uani 1 1 d . . .
C18 C 0.6871(5) 0.2947(7) 1.0375(4) 0.033(2) Uani 1 1 d . . .
C19 C 0.6569(5) 0.3517(7) 1.0661(4) 0.033(2) Uani 1 1 d . . .
H19A H 0.6305 0.3171 1.0816 0.039 Uiso 1 1 calc R . .
C20 C 0.6633(5) 0.4570(8) 1.0733(4) 0.038(3) Uani 1 1 d . . .
C21 C 0.7022(5) 0.5073(7) 1.0529(4) 0.036(2) Uani 1 1 d . . .
C22 C 0.7088(6) 0.6218(9) 1.0604(5) 0.055(4) Uani 1 1 d . . .
H22A H 0.7164 0.6373 1.0961 0.082 Uiso 1 1 calc R . .
H22B H 0.6739 0.6561 1.0440 0.082 Uiso 1 1 calc R . .
H22C H 0.7403 0.6460 1.0459 0.082 Uiso 1 1 calc R . .
C23 C 0.6271(6) 0.5122(10) 1.1037(5) 0.060(4) Uani 1 1 d . . .
H23A H 0.6095 0.5717 1.0850 0.090 Uiso 1 1 calc R . .
H23B H 0.6507 0.5348 1.1352 0.090 Uiso 1 1 calc R . .
H23C H 0.5977 0.4659 1.1105 0.090 Uiso 1 1 calc R . .
C24 C 0.6761(6) 0.1838(8) 1.0301(4) 0.046(3) Uani 1 1 d . . .
H24A H 0.7115 0.1459 1.0408 0.069 Uiso 1 1 calc R . .
H24B H 0.6610 0.1702 0.9948 0.069 Uiso 1 1 calc R . .
H24C H 0.6486 0.1619 1.0499 0.069 Uiso 1 1 calc R . .
C25 C 0.7600(5) 0.2906(9) 0.9843(4) 0.045(3) Uani 1 1 d . . .
H25A H 0.7653 0.2199 0.9961 0.068 Uiso 1 1 calc R . .
H25B H 0.7969 0.3232 0.9865 0.068 Uiso 1 1 calc R . .
H25C H 0.7396 0.2909 0.9495 0.068 Uiso 1 1 calc R . .
C26 C 0.7088(5) 0.7377(10) 0.7502(4) 0.042(3) Uani 1 1 d . . .
H26A H 0.7159 0.8043 0.7667 0.064 Uiso 1 1 calc R . .
H26B H 0.7001 0.6873 0.7740 0.064 Uiso 1 1 calc R . .
H26C H 0.6768 0.7433 0.7220 0.064 Uiso 1 1 calc R . .
C27 C 0.7590(6) 0.5645(12) 0.7031(6) 0.070(4) Uani 1 1 d . . .
H27A H 0.7877 0.5454 0.6840 0.104 Uiso 1 1 calc R . .
H27B H 0.7215 0.5615 0.6813 0.104 Uiso 1 1 calc R . .
H27C H 0.7606 0.5171 0.7310 0.104 Uiso 1 1 calc R . .
C28 C 0.7860(6) 0.7851(16) 0.6775(5) 0.090(6) Uani 1 1 d . . .
H28A H 0.8066 0.7488 0.6554 0.136 Uiso 1 1 calc R . .
H28B H 0.8085 0.8434 0.6928 0.136 Uiso 1 1 calc R . .
H28C H 0.7498 0.8096 0.6582 0.136 Uiso 1 1 calc R . .
C29 C 0.7047(4) 0.4154(8) 0.3319(4) 0.028(2) Uani 1 1 d . . .
C30 C 0.6170(5) 0.3670(9) 0.2945(4) 0.044(3) Uani 1 1 d . . .
H30A H 0.5838 0.3573 0.2697 0.052 Uiso 1 1 calc R . .
C31 C 0.6243(4) 0.3382(9) 0.3427(4) 0.042(3) Uani 1 1 d . . .
H31A H 0.5979 0.3035 0.3582 0.051 Uiso 1 1 calc R . .
C32 C 0.6746(5) 0.4585(10) 0.2414(4) 0.046(3) Uani 1 1 d . . .
H32A H 0.7076 0.5040 0.2480 0.069 Uiso 1 1 calc R . .
H32B H 0.6409 0.4978 0.2265 0.069 Uiso 1 1 calc R . .
H32C H 0.6808 0.4044 0.2183 0.069 Uiso 1 1 calc R . .
C33 C 0.7101(5) 0.3633(8) 0.4147(4) 0.034(2) Uani 1 1 d . . .
C34 C 0.7619(4) 0.3998(7) 0.4207(4) 0.025(2) Uani 1 1 d . . .
C35 C 0.7977(4) 0.4027(7) 0.4645(4) 0.029(2) Uani 1 1 d . . .
H35A H 0.8342 0.4318 0.4671 0.034 Uiso 1 1 calc R . .
C36 C 0.7807(4) 0.3614(7) 0.5080(4) 0.030(2) Uani 1 1 d . . .
C37 C 0.7261(4) 0.3207(8) 0.5007(4) 0.032(2) Uani 1 1 d . . .
H37A H 0.7136 0.2911 0.5282 0.038 Uiso 1 1 calc R . .
C38 C 0.6894(4) 0.3220(8) 0.4541(4) 0.033(2) Uani 1 1 d . . .
H38A H 0.6521 0.2959 0.4497 0.040 Uiso 1 1 calc R . .
C39 C 0.9601(5) 0.5307(10) 0.4060(4) 0.043(3) Uani 1 1 d . . .
H39A H 0.9548 0.5224 0.4404 0.065 Uiso 1 1 calc R . .
H39B H 0.9769 0.5977 0.4024 0.065 Uiso 1 1 calc R . .
H39C H 0.9853 0.4769 0.3984 0.065 Uiso 1 1 calc R . .
C40 C 0.9035(4) 0.5229(8) 0.3705(4) 0.030(2) Uani 1 1 d . . .
C41 C 0.8997(4) 0.5542(8) 0.3199(4) 0.032(2) Uani 1 1 d . . .
C42 C 0.8502(5) 0.5458(9) 0.2838(4) 0.037(2) Uani 1 1 d . . .
C43 C 0.8501(6) 0.5779(12) 0.2313(4) 0.060(4) Uani 1 1 d . . .
H43A H 0.8153 0.6156 0.2179 0.091 Uiso 1 1 calc R . .
H43B H 0.8522 0.5171 0.2108 0.091 Uiso 1 1 calc R . .
H43C H 0.8829 0.6218 0.2307 0.091 Uiso 1 1 calc R . .
C44 C 0.9526(4) 0.5995(8) 0.3072(4) 0.031(2) Uani 1 1 d . . .
C45 C 0.9910(5) 0.5389(8) 0.2874(4) 0.036(2) Uani 1 1 d . . .
C46 C 1.0405(5) 0.5836(9) 0.2801(4) 0.037(2) Uani 1 1 d . . .
C47 C 1.0515(5) 0.6845(8) 0.2902(4) 0.036(2) Uani 1 1 d . . .
H47A H 1.0858 0.7129 0.2845 0.043 Uiso 1 1 calc R . .
C48 C 1.0142(5) 0.7461(8) 0.3086(4) 0.037(3) Uani 1 1 d . . .
C49 C 0.9641(5) 0.7034(8) 0.3171(4) 0.034(2) Uani 1 1 d . . .
C50 C 0.9239(7) 0.7671(11) 0.3392(5) 0.062(4) Uani 1 1 d . . .
H50A H 0.8857 0.7387 0.3295 0.093 Uiso 1 1 calc R . .
H50B H 0.9242 0.8374 0.3269 0.093 Uiso 1 1 calc R . .
H50C H 0.9355 0.7668 0.3756 0.093 Uiso 1 1 calc R . .
C51 C 1.0294(7) 0.8568(10) 0.3199(5) 0.067(4) Uani 1 1 d . . .
H51A H 1.0687 0.8686 0.3172 0.100 Uiso 1 1 calc R . .
H51B H 1.0249 0.8729 0.3539 0.100 Uiso 1 1 calc R . .
H51C H 1.0044 0.9007 0.2961 0.100 Uiso 1 1 calc R . .
C52 C 1.0837(5) 0.5206(10) 0.2584(5) 0.053(3) Uani 1 1 d . . .
H52A H 1.1171 0.5627 0.2576 0.079 Uiso 1 1 calc R . .
H52B H 1.0666 0.4989 0.2245 0.079 Uiso 1 1 calc R . .
H52C H 1.0949 0.4603 0.2793 0.079 Uiso 1 1 calc R . .
C53 C 0.9796(6) 0.4281(9) 0.2764(5) 0.051(3) Uani 1 1 d . . .
H53A H 1.0146 0.3891 0.2866 0.077 Uiso 1 1 calc R . .
H53B H 0.9652 0.4190 0.2406 0.077 Uiso 1 1 calc R . .
H53C H 0.9514 0.4036 0.2949 0.077 Uiso 1 1 calc R . .
C54 C 0.8629(4) 0.1837(8) 0.1971(4) 0.033(2) Uani 1 1 d . . .
C55 C 0.7799(5) 0.2586(10) 0.1761(5) 0.055(4) Uani 1 1 d . . .
H55A H 0.7460 0.2836 0.1557 0.066 Uiso 1 1 calc R . .
C56 C 0.7957(5) 0.2740(10) 0.2247(5) 0.049(3) Uani 1 1 d . . .
H56A H 0.7754 0.3093 0.2459 0.059 Uiso 1 1 calc R . .
C57 C 0.8175(5) 0.1666(11) 0.1091(5) 0.052(3) Uani 1 1 d . . .
H57A H 0.8496 0.1218 0.1076 0.077 Uiso 1 1 calc R . .
H57B H 0.8185 0.2261 0.0876 0.077 Uiso 1 1 calc R . .
H57C H 0.7821 0.1290 0.0977 0.077 Uiso 1 1 calc R . .
C58 C 0.8873(4) 0.2187(7) 0.2841(4) 0.030(2) Uani 1 1 d . . .
C59 C 0.9354(4) 0.1649(6) 0.2763(3) 0.0211(19) Uani 1 1 d . . .
C60 C 0.9776(4) 0.1550(7) 0.3203(4) 0.028(2) Uani 1 1 d . . .
H60A H 1.0114 0.1196 0.3183 0.033 Uiso 1 1 calc R . .
C61 C 0.9720(4) 0.1954(7) 0.3675(4) 0.032(2) Uani 1 1 d . . .
C62 C 0.9228(5) 0.2474(8) 0.3695(4) 0.036(3) Uani 1 1 d . . .
H62A H 0.9183 0.2759 0.4003 0.043 Uiso 1 1 calc R . .
C63 C 0.8798(5) 0.2595(8) 0.3283(4) 0.036(2) Uani 1 1 d . . .
H63A H 0.8461 0.2950 0.3306 0.043 Uiso 1 1 calc R . .
C64 C 0.8938(6) 0.2770(12) 0.5616(5) 0.064(4) Uani 1 1 d . . .
H64A H 0.9134 0.3087 0.5374 0.096 Uiso 1 1 calc R . .
H64B H 0.8804 0.2090 0.5498 0.096 Uiso 1 1 calc R . .
H64C H 0.9200 0.2708 0.5939 0.096 Uiso 1 1 calc R . .
C65 C 0.7981(6) 0.3082(9) 0.6186(4) 0.047(3) Uani 1 1 d . . .
H65A H 0.7702 0.3578 0.6254 0.070 Uiso 1 1 calc R . .
H65B H 0.8268 0.2970 0.6489 0.070 Uiso 1 1 calc R . .
H65C H 0.7792 0.2434 0.6078 0.070 Uiso 1 1 calc R . .
C66 C 0.8594(6) 0.4878(10) 0.5866(5) 0.058(4) Uani 1 1 d . . .
H66A H 0.8277 0.5331 0.5890 0.087 Uiso 1 1 calc R . .
H66B H 0.8791 0.5140 0.5612 0.087 Uiso 1 1 calc R . .
H66C H 0.8856 0.4850 0.6189 0.087 Uiso 1 1 calc R . .
C67 C 1.1047(4) -0.0115(9) 0.2285(4) 0.037(2) Uani 1 1 d . . .
H67A H 1.1129 0.0242 0.2606 0.055 Uiso 1 1 calc R . .
H67B H 1.1312 0.0113 0.2079 0.055 Uiso 1 1 calc R . .
H67C H 1.1088 -0.0854 0.2341 0.055 Uiso 1 1 calc R . .
C68 C 1.0449(4) 0.0122(8) 0.2021(4) 0.030(2) Uani 1 1 d . . .
C69 C 1.0261(4) -0.0188(8) 0.1525(4) 0.031(2) Uani 1 1 d . . .
C70 C 0.9732(5) 0.0089(8) 0.1234(4) 0.036(2) Uani 1 1 d . . .
C71 C 0.9580(5) -0.0260(11) 0.0694(4) 0.051(3) Uani 1 1 d . . .
H71A H 0.9175 -0.0418 0.0607 0.076 Uiso 1 1 calc R . .
H71B H 0.9798 -0.0873 0.0650 0.076 Uiso 1 1 calc R . .
H71C H 0.9667 0.0285 0.0476 0.076 Uiso 1 1 calc R . .
C72 C 1.0663(5) -0.0827(8) 0.1295(4) 0.033(2) Uani 1 1 d . . .
C73 C 1.1013(5) -0.0347(8) 0.1005(4) 0.036(2) Uani 1 1 d . . .
C74 C 1.1395(4) -0.0924(7) 0.0805(4) 0.032(2) Uani 1 1 d . . .
C75 C 1.1441(5) -0.1960(8) 0.0912(4) 0.037(2) Uani 1 1 d . . .
H75A H 1.1711 -0.2352 0.0785 0.045 Uiso 1 1 calc R . .
C76 C 1.1107(5) -0.2442(8) 0.1197(4) 0.035(2) Uani 1 1 d . . .
C77 C 1.0705(4) -0.1877(8) 0.1376(4) 0.033(2) Uani 1 1 d . . .
C78 C 1.0327(5) -0.2392(9) 0.1675(4) 0.042(3) Uani 1 1 d . . .
H78A H 1.0555 -0.2814 0.1935 0.063 Uiso 1 1 calc R . .
H78B H 1.0053 -0.2826 0.1454 0.063 Uiso 1 1 calc R . .
H78C H 1.0124 -0.1873 0.1828 0.063 Uiso 1 1 calc R . .
C79 C 1.1200(5) -0.3577(9) 0.1305(4) 0.043(3) Uani 1 1 d . . .
H79A H 1.0835 -0.3929 0.1244 0.064 Uiso 1 1 calc R . .
H79B H 1.1389 -0.3670 0.1655 0.064 Uiso 1 1 calc R . .
H79C H 1.1438 -0.3862 0.1088 0.064 Uiso 1 1 calc R . .
C80 C 1.1799(6) -0.0430(10) 0.0519(5) 0.055(3) Uani 1 1 d . . .
H80A H 1.2101 -0.0912 0.0492 0.083 Uiso 1 1 calc R . .
H80B H 1.1963 0.0185 0.0696 0.083 Uiso 1 1 calc R . .
H80C H 1.1594 -0.0242 0.0185 0.083 Uiso 1 1 calc R . .
C81 C 1.0980(6) 0.0798(9) 0.0911(5) 0.053(3) Uani 1 1 d . . .
H81A H 1.1072 0.0944 0.0586 0.080 Uiso 1 1 calc R . .
H81B H 1.1250 0.1148 0.1173 0.080 Uiso 1 1 calc R . .
H81C H 1.0597 0.1039 0.0915 0.080 Uiso 1 1 calc R . .
C82 C 1.0969(5) 0.2222(11) 0.4031(5) 0.055(3) Uani 1 1 d . . .
H82A H 1.1292 0.2140 0.4309 0.083 Uiso 1 1 calc R . .
H82B H 1.0929 0.2944 0.3935 0.083 Uiso 1 1 calc R . .
H82C H 1.1031 0.1814 0.3747 0.083 Uiso 1 1 calc R . .
C83 C 1.0409(6) 0.0426(10) 0.4416(5) 0.053(3) Uani 1 1 d . . .
H83A H 1.0718 0.0369 0.4708 0.079 Uiso 1 1 calc R . .
H83B H 1.0501 0.0023 0.4141 0.079 Uiso 1 1 calc R . .
H83C H 1.0059 0.0168 0.4499 0.079 Uiso 1 1 calc R . .
C84 C 1.0178(6) 0.2554(14) 0.4766(5) 0.074(5) Uani 1 1 d . . .
H84A H 1.0514 0.2541 0.5035 0.111 Uiso 1 1 calc R . .
H84B H 0.9857 0.2263 0.4887 0.111 Uiso 1 1 calc R . .
H84C H 1.0093 0.3261 0.4660 0.111 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 1.938(10) . ?
Pt1 C6 1.953(9) . ?
Pt1 O1 2.022(7) . ?
Pt1 O2 2.078(7) . ?
Pt2 C29 1.946(10) . ?
Pt2 O3 2.036(7) . ?
Pt2 O4 2.078(7) . ?
Pt2 C34 2.081(10) . ?
Pt3 C59 1.953(9) . ?
Pt3 C54 1.960(10) . ?
Pt3 O5 2.021(6) . ?
Pt3 O6 2.089(7) . ?
Si1 C8 1.854(11) . ?
Si1 C27 1.856(15) . ?
Si1 C26 1.861(11) . ?
Si1 C28 1.865(14) . ?
Si2 C66 1.845(12) . ?
Si2 C65 1.848(11) . ?
Si2 C36 1.870(11) . ?
Si2 C64 1.871(14) . ?
Si3 C83 1.847(13) . ?
Si3 C82 1.857(13) . ?
Si3 C61 1.876(11) . ?
Si3 C84 1.878(13) . ?
O1 C12 1.293(11) . ?
O2 C14 1.269(13) . ?
O3 C40 1.274(11) . ?
O4 C42 1.277(12) . ?
O5 C68 1.275(11) . ?
O6 C70 1.258(12) . ?
N1 C1 1.357(13) . ?
N1 C2 1.390(16) . ?
N1 C4 1.450(16) . ?
N2 C1 1.361(14) . ?
N2 C3 1.399(13) . ?
N2 C5 1.420(13) . ?
N3 C29 1.364(13) . ?
N3 C30 1.390(15) . ?
N3 C32 1.446(14) . ?
N4 C29 1.345(13) . ?
N4 C31 1.379(13) . ?
N4 C33 1.434(14) . ?
N5 C54 1.313(13) . ?
N5 C55 1.391(14) . ?
N5 C57 1.439(15) . ?
N6 C54 1.369(14) . ?
N6 C56 1.387(13) . ?
N6 C58 1.419(13) . ?
C2 C3 1.325(18) . ?
C5 C10 1.352(14) . ?
C5 C6 1.412(13) . ?
C6 C7 1.432(14) . ?
C7 C8 1.419(13) . ?
C8 C9 1.382(14) . ?
C9 C10 1.394(15) . ?
C11 C12 1.508(14) . ?
C12 C13 1.397(14) . ?
C13 C14 1.424(16) . ?
C13 C16 1.518(14) . ?
C14 C15 1.517(15) . ?
C16 C17 1.390(15) . ?
C16 C21 1.399(14) . ?
C17 C18 1.398(15) . ?
C17 C25 1.517(14) . ?
C18 C19 1.389(14) . ?
C18 C24 1.481(14) . ?
C19 C20 1.396(15) . ?
C20 C21 1.357(15) . ?
C20 C23 1.506(14) . ?
C21 C22 1.516(15) . ?
C30 C31 1.349(16) . ?
C33 C34 1.318(14) . ?
C33 C38 1.388(14) . ?
C34 C35 1.331(14) . ?
C35 C36 1.440(13) . ?
C36 C37 1.397(14) . ?
C37 C38 1.399(14) . ?
C39 C40 1.514(15) . ?
C40 C41 1.431(13) . ?
C41 C42 1.394(15) . ?
C41 C44 1.510(13) . ?
C42 C43 1.499(15) . ?
C44 C49 1.403(14) . ?
C44 C45 1.410(14) . ?
C45 C46 1.380(15) . ?
C45 C53 1.494(15) . ?
C46 C47 1.363(15) . ?
C46 C52 1.541(15) . ?
C47 C48 1.377(15) . ?
C48 C49 1.394(15) . ?
C48 C51 1.510(16) . ?
C49 C50 1.497(15) . ?
C55 C56 1.325(18) . ?
C58 C63 1.369(14) . ?
C58 C59 1.410(12) . ?
C59 C60 1.421(13) . ?
C60 C61 1.426(14) . ?
C61 C62 1.381(14) . ?
C62 C63 1.378(16) . ?
C67 C68 1.511(14) . ?
C68 C69 1.403(14) . ?
C69 C70 1.409(14) . ?
C69 C72 1.510(14) . ?
C70 C71 1.522(14) . ?
C72 C77 1.393(15) . ?
C72 C73 1.417(15) . ?
C73 C74 1.387(14) . ?
C73 C81 1.518(15) . ?
C74 C75 1.386(14) . ?
C74 C80 1.514(15) . ?
C75 C76 1.381(15) . ?
C76 C77 1.388(15) . ?
C76 C79 1.521(15) . ?
C77 C78 1.502(15) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 C6 79.2(4) . . ?
C1 Pt1 O1 172.2(4) . . ?
C6 Pt1 O1 93.1(3) . . ?
C1 Pt1 O2 100.0(4) . . ?
C6 Pt1 O2 179.0(4) . . ?
O1 Pt1 O2 87.7(3) . . ?
C29 Pt2 O3 171.3(3) . . ?
C29 Pt2 O4 100.5(3) . . ?
O3 Pt2 O4 87.9(3) . . ?
C29 Pt2 C34 78.6(4) . . ?
O3 Pt2 C34 93.0(3) . . ?
O4 Pt2 C34 178.0(3) . . ?
C59 Pt3 C54 79.8(4) . . ?
C59 Pt3 O5 93.5(3) . . ?
C54 Pt3 O5 172.9(4) . . ?
C59 Pt3 O6 178.6(3) . . ?
C54 Pt3 O6 99.0(4) . . ?
O5 Pt3 O6 87.8(3) . . ?
C8 Si1 C27 109.2(6) . . ?
C8 Si1 C26 110.1(5) . . ?
C27 Si1 C26 106.7(6) . . ?
C8 Si1 C28 109.7(6) . . ?
C27 Si1 C28 111.1(8) . . ?
C26 Si1 C28 110.0(7) . . ?
C66 Si2 C65 108.6(6) . . ?
C66 Si2 C36 110.5(5) . . ?
C65 Si2 C36 110.4(5) . . ?
C66 Si2 C64 107.6(7) . . ?
C65 Si2 C64 111.1(6) . . ?
C36 Si2 C64 108.6(5) . . ?
C83 Si3 C82 108.4(6) . . ?
C83 Si3 C61 112.0(5) . . ?
C82 Si3 C61 106.9(5) . . ?
C83 Si3 C84 109.0(7) . . ?
C82 Si3 C84 110.7(7) . . ?
C61 Si3 C84 109.9(6) . . ?
C12 O1 Pt1 127.6(6) . . ?
C14 O2 Pt1 128.1(7) . . ?
C40 O3 Pt2 127.6(6) . . ?
C42 O4 Pt2 127.5(7) . . ?
C68 O5 Pt3 128.3(6) . . ?
C70 O6 Pt3 126.6(6) . . ?
C1 N1 C2 109.4(10) . . ?
C1 N1 C4 125.4(10) . . ?
C2 N1 C4 125.2(10) . . ?
C1 N2 C3 111.1(10) . . ?
C1 N2 C5 115.8(8) . . ?
C3 N2 C5 132.9(10) . . ?
C29 N3 C30 109.5(9) . . ?
C29 N3 C32 125.8(9) . . ?
C30 N3 C32 124.5(9) . . ?
C29 N4 C31 112.1(9) . . ?
C29 N4 C33 115.1(8) . . ?
C31 N4 C33 132.8(9) . . ?
C54 N5 C55 109.1(10) . . ?
C54 N5 C57 125.7(10) . . ?
C55 N5 C57 125.1(10) . . ?
C54 N6 C56 110.0(10) . . ?
C54 N6 C58 117.2(8) . . ?
C56 N6 C58 132.8(10) . . ?
N1 C1 N2 104.8(9) . . ?
N1 C1 Pt1 137.7(9) . . ?
N2 C1 Pt1 117.4(7) . . ?
C3 C2 N1 109.2(11) . . ?
C2 C3 N2 105.4(11) . . ?
C10 C5 C6 125.7(10) . . ?
C10 C5 N2 125.1(9) . . ?
C6 C5 N2 109.2(9) . . ?
C5 C6 C7 112.5(8) . . ?
C5 C6 Pt1 118.4(7) . . ?
C7 C6 Pt1 129.0(7) . . ?
C8 C7 C6 124.3(9) . . ?
C9 C8 C7 116.8(9) . . ?
C9 C8 Si1 123.6(8) . . ?
C7 C8 Si1 119.6(7) . . ?
C8 C9 C10 121.9(10) . . ?
C5 C10 C9 118.8(9) . . ?
O1 C12 C13 127.5(10) . . ?
O1 C12 C11 113.7(9) . . ?
C13 C12 C11 118.8(9) . . ?
C12 C13 C14 123.1(10) . . ?
C12 C13 C16 117.9(9) . . ?
C14 C13 C16 118.8(9) . . ?
O2 C14 C13 125.6(10) . . ?
O2 C14 C15 115.2(11) . . ?
C13 C14 C15 119.2(11) . . ?
C17 C16 C21 120.6(10) . . ?
C17 C16 C13 119.0(9) . . ?
C21 C16 C13 120.3(9) . . ?
C16 C17 C18 121.1(10) . . ?
C16 C17 C25 120.7(10) . . ?
C18 C17 C25 118.2(10) . . ?
C19 C18 C17 115.9(9) . . ?
C19 C18 C24 120.2(10) . . ?
C17 C18 C24 123.9(10) . . ?
C18 C19 C20 123.7(9) . . ?
C21 C20 C19 119.1(9) . . ?
C21 C20 C23 121.5(10) . . ?
C19 C20 C23 119.5(10) . . ?
C20 C21 C16 119.5(9) . . ?
C20 C21 C22 119.0(10) . . ?
C16 C21 C22 121.4(10) . . ?
N4 C29 N3 104.9(9) . . ?
N4 C29 Pt2 117.5(7) . . ?
N3 C29 Pt2 137.5(8) . . ?
C31 C30 N3 107.9(10) . . ?
C30 C31 N4 105.6(10) . . ?
C34 C33 C38 121.7(10) . . ?
C34 C33 N4 114.5(9) . . ?
C38 C33 N4 123.8(10) . . ?
C33 C34 C35 123.3(10) . . ?
C33 C34 Pt2 114.2(7) . . ?
C35 C34 Pt2 122.4(7) . . ?
C34 C35 C36 119.7(9) . . ?
C37 C36 C35 116.2(9) . . ?
C37 C36 Si2 124.0(8) . . ?
C35 C36 Si2 119.7(8) . . ?
C36 C37 C38 122.2(9) . . ?
C33 C38 C37 116.9(10) . . ?
O3 C40 C41 127.3(9) . . ?
O3 C40 C39 114.2(9) . . ?
C41 C40 C39 118.4(9) . . ?
C42 C41 C40 122.8(9) . . ?
C42 C41 C44 120.9(9) . . ?
C40 C41 C44 116.3(9) . . ?
O4 C42 C41 126.8(9) . . ?
O4 C42 C43 113.7(10) . . ?
C41 C42 C43 119.5(10) . . ?
C49 C44 C45 119.9(9) . . ?
C49 C44 C41 118.7(9) . . ?
C45 C44 C41 121.3(9) . . ?
C46 C45 C44 118.2(10) . . ?
C46 C45 C53 120.9(10) . . ?
C44 C45 C53 120.9(9) . . ?
C47 C46 C45 121.4(10) . . ?
C47 C46 C52 118.5(10) . . ?
C45 C46 C52 120.2(10) . . ?
C46 C47 C48 121.8(10) . . ?
C47 C48 C49 118.6(10) . . ?
C47 C48 C51 119.2(11) . . ?
C49 C48 C51 122.2(11) . . ?
C48 C49 C44 120.1(9) . . ?
C48 C49 C50 120.0(11) . . ?
C44 C49 C50 119.8(10) . . ?
N5 C54 N6 106.4(9) . . ?
N5 C54 Pt3 138.2(8) . . ?
N6 C54 Pt3 115.4(8) . . ?
C56 C55 N5 109.2(10) . . ?
C55 C56 N6 105.2(11) . . ?
C63 C58 C59 126.0(10) . . ?
C63 C58 N6 124.9(9) . . ?
C59 C58 N6 109.0(9) . . ?
C58 C59 C60 112.9(8) . . ?
C58 C59 Pt3 118.5(7) . . ?
C60 C59 Pt3 128.5(6) . . ?
C59 C60 C61 123.5(8) . . ?
C62 C61 C60 117.3(10) . . ?
C62 C61 Si3 123.7(8) . . ?
C60 C61 Si3 119.1(7) . . ?
C63 C62 C61 122.5(10) . . ?
C58 C63 C62 117.9(9) . . ?
O5 C68 C69 126.3(9) . . ?
O5 C68 C67 113.9(9) . . ?
C69 C68 C67 119.7(9) . . ?
C68 C69 C70 123.5(9) . . ?
C68 C69 C72 117.0(9) . . ?
C70 C69 C72 119.5(9) . . ?
O6 C70 C69 126.6(9) . . ?
O6 C70 C71 114.3(10) . . ?
C69 C70 C71 119.1(10) . . ?
C77 C72 C73 119.6(10) . . ?
C77 C72 C69 120.8(10) . . ?
C73 C72 C69 119.6(9) . . ?
C74 C73 C72 119.9(10) . . ?
C74 C73 C81 119.1(10) . . ?
C72 C73 C81 121.0(10) . . ?
C75 C74 C73 118.7(10) . . ?
C75 C74 C80 119.6(9) . . ?
C73 C74 C80 121.4(9) . . ?
C76 C75 C74 122.4(10) . . ?
C75 C76 C77 119.1(10) . . ?
C75 C76 C79 118.5(10) . . ?
C77 C76 C79 122.5(10) . . ?
C76 C77 C72 120.2(10) . . ?
C76 C77 C78 120.0(10) . . ?
C72 C77 C78 119.8(10) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.73
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         6.135
_refine_diff_density_min         -1.753
_refine_diff_density_rms         0.215

