data_s92
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 Prof. D. Bruce
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C36 H30 I2 P2 Pt, 0.21(C2 H8 O2), 0.58(C H4 O)'
_chemical_formula_sum
 'C37 H34 I2 O P2 Pt'
_chemical_formula_weight          1005.47
 
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'
 'Pt'  'Pt'  -1.7033   8.3905
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'I'  'I'  -0.4742   1.8119
 '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'
 
_symmetry_cell_setting            Triclinic
_symmetry_space_group_name_H-M    P-1
_symmetry_space_group_name_hall   '-P 1'
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    9.7736(3)
_cell_length_b                    10.4639(2)
_cell_length_c                    17.7391(5)
_cell_angle_alpha                 86.343(2)
_cell_angle_beta                  77.813(1)
_cell_angle_gamma                 70.524(2)
_cell_volume                      1671.78(8)
_cell_formula_units_Z             2
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     7350
_cell_measurement_theta_min       2.910
_cell_measurement_theta_max       27.485
 
_exptl_crystal_description        Block
_exptl_crystal_colour             Yellow
_exptl_crystal_size_max           0.24
_exptl_crystal_size_mid           0.18
_exptl_crystal_size_min           0.10
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.997
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              956
_exptl_absorpt_coefficient_mu     6.168
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.3191
_exptl_absorpt_correction_T_max   0.5775
_exptl_absorpt_process_details    'SORTAV Blessing (1997)'
 
_exptl_special_details
;
 PLEASE NOTE cell_measurement_ fields are not relevant to area detector data,
 the entire data set is used to refine the cell, which is indexed from all
 observed reflections in a 10 degree phi range.
;
 
_diffrn_ambient_temperature       120(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'Nonius FR591 rotating anode'
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Nonius KappaCCD Area Detector'
_diffrn_measurement_method        'φ and ω scans to fill Ewald Sphere'
_diffrn_detector_area_resol_mean  9.091
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             32934
_diffrn_reflns_av_R_equivalents   0.0650
_diffrn_reflns_av_sigmaI/netI     0.0455
_diffrn_reflns_limit_h_min        -12
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_k_min        -13
_diffrn_reflns_limit_k_max        13
_diffrn_reflns_limit_l_min        -22
_diffrn_reflns_limit_l_max        23
_diffrn_reflns_theta_min          2.95
_diffrn_reflns_theta_max          27.48
_reflns_number_total              7641
_reflns_number_gt                 6779
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection
' DENZO (Otwinowski and Minor, 1997)'
_computing_cell_refinement        
' DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_reduction         
' DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997a)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997b)' 
_computing_molecular_graphics     'PLATON (Spek, 1990)'
_computing_publication_material   ? 
 
_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)+(0.0348P)²+14.0278P] 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          7641
_refine_ls_number_parameters      433
_refine_ls_number_restraints      88
_refine_ls_R_factor_all           0.0478
_refine_ls_R_factor_gt            0.0397
_refine_ls_wR_factor_ref          0.0996
_refine_ls_wR_factor_gt           0.0962
_refine_ls_goodness_of_fit_ref    1.076
_refine_ls_restrained_S_all       1.073
_refine_ls_shift/su_max           0.021
_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
C1 C 0.6565(7) 0.1807(6) 0.4582(4) 0.0205(12) Uani 1 1 d . . .
C2 C 0.5542(8) 0.1663(7) 0.5222(4) 0.0281(14) Uani 1 1 d . . .
H2 H 0.4570 0.1745 0.5169 0.034 Uiso 1 1 calc R . .
C3 C 0.5915(9) 0.1403(8) 0.5936(4) 0.0348(16) Uani 1 1 d . . .
H3 H 0.5196 0.1325 0.6374 0.042 Uiso 1 1 calc R . .
C4 C 0.7346(9) 0.1254(7) 0.6018(4) 0.0341(17) Uani 1 1 d . . .
H4 H 0.7615 0.1054 0.6507 0.041 Uiso 1 1 calc R . .
C5 C 0.8371(9) 0.1400(8) 0.5380(4) 0.0337(16) Uani 1 1 d . . .
H5 H 0.9344 0.1316 0.5435 0.040 Uiso 1 1 calc R . .
C6 C 0.8001(8) 0.1665(7) 0.4671(4) 0.0282(14) Uani 1 1 d . . .
H6 H 0.8720 0.1753 0.4236 0.034 Uiso 1 1 calc R . .
C7 C 0.7028(7) 0.3529(6) 0.3353(4) 0.0226(13) Uani 1 1 d . . .
C8 C 0.6703(8) 0.4681(7) 0.3801(5) 0.0343(17) Uani 1 1 d . . .
H8 H 0.5992 0.4816 0.4271 0.041 Uiso 1 1 calc R . .
C9 C 0.7404(9) 0.5622(8) 0.3569(6) 0.049(2) Uani 1 1 d . . .
H9 H 0.7168 0.6413 0.3871 0.058 Uiso 1 1 calc R . .
C10 C 0.8446(9) 0.5409(8) 0.2897(7) 0.052(3) Uani 1 1 d . . .
H10 H 0.8893 0.6081 0.2723 0.063 Uiso 1 1 calc R . .
C11 C 0.8854(9) 0.4246(9) 0.2474(5) 0.043(2) Uani 1 1 d . . .
H11 H 0.9626 0.4086 0.2028 0.051 Uiso 1 1 calc R . .
C12 C 0.8132(7) 0.3300(7) 0.2700(4) 0.0290(15) Uani 1 1 d . . .
H12 H 0.8400 0.2496 0.2404 0.035 Uiso 1 1 calc R . .
C13 C 0.4094(7) 0.3112(7) 0.3879(4) 0.0217(13) Uani 1 1 d . . .
C14 C 0.3284(7) 0.2218(8) 0.4025(4) 0.0294(15) Uani 1 1 d . . .
H14 H 0.3790 0.1268 0.3998 0.035 Uiso 1 1 calc R . .
C15 C 0.1756(8) 0.2700(10) 0.4207(4) 0.0401(19) Uani 1 1 d . . .
H15 H 0.1209 0.2087 0.4310 0.048 Uiso 1 1 calc R . .
C16 C 0.1026(8) 0.4093(10) 0.4239(4) 0.042(2) Uani 1 1 d . . .
H16 H -0.0026 0.4434 0.4352 0.050 Uiso 1 1 calc R . .
C17 C 0.1823(8) 0.4984(9) 0.4108(4) 0.0373(18) Uani 1 1 d . . .
H17 H 0.1315 0.5934 0.4138 0.045 Uiso 1 1 calc R . .
C18 C 0.3352(8) 0.4502(7) 0.3933(4) 0.0283(15) Uani 1 1 d . . .
H18 H 0.3896 0.5117 0.3851 0.034 Uiso 1 1 calc R . .
C19 C 0.3995(7) 0.1393(6) 0.1627(4) 0.0230(13) Uani 1 1 d . . .
C20 C 0.3950(8) 0.1090(8) 0.0879(4) 0.0337(17) Uani 1 1 d . . .
H20 H 0.4653 0.1242 0.0455 0.040 Uiso 1 1 calc R . .
C21 C 0.2890(8) 0.0572(9) 0.0752(5) 0.0382(18) Uani 1 1 d . . .
H21 H 0.2862 0.0377 0.0241 0.046 Uiso 1 1 calc R . .
C22 C 0.1873(8) 0.0335(7) 0.1362(5) 0.0335(16) Uani 1 1 d . . .
H22 H 0.1152 -0.0029 0.1271 0.040 Uiso 1 1 calc R . .
C23 C 0.1903(8) 0.0627(7) 0.2106(4) 0.0292(15) Uani 1 1 d . . .
H23 H 0.1194 0.0474 0.2526 0.035 Uiso 1 1 calc R . .
C24 C 0.2963(7) 0.1141(7) 0.2240(4) 0.0241(13) Uani 1 1 d . . .
H24 H 0.2989 0.1324 0.2754 0.029 Uiso 1 1 calc R . .
C25 C 0.4367(7) 0.3863(6) 0.2039(3) 0.0197(12) Uani 1 1 d . . .
C26 C 0.5179(7) 0.4735(7) 0.1993(4) 0.0244(13) Uani 1 1 d . . .
H26 H 0.6231 0.4378 0.1874 0.029 Uiso 1 1 calc R . .
C27 C 0.4495(8) 0.6112(7) 0.2116(4) 0.0279(14) Uani 1 1 d . . .
H27 H 0.5073 0.6690 0.2095 0.034 Uiso 1 1 calc R . .
C28 C 0.2961(8) 0.6648(7) 0.2270(4) 0.0303(15) Uani 1 1 d . . .
H28 H 0.2482 0.7593 0.2357 0.036 Uiso 1 1 calc R . .
C29 C 0.2142(7) 0.5797(7) 0.2296(4) 0.0288(15) Uani 1 1 d . . .
H29 H 0.1091 0.6167 0.2389 0.035 Uiso 1 1 calc R . .
C30 C 0.2826(7) 0.4396(7) 0.2190(4) 0.0238(13) Uani 1 1 d . . .
H30 H 0.2248 0.3816 0.2219 0.029 Uiso 1 1 calc R . .
C31 C 0.6584(7) 0.2209(6) 0.0933(4) 0.0216(12) Uani 1 1 d . . .
C32 C 0.5975(7) 0.3066(7) 0.0371(4) 0.0274(14) Uani 1 1 d . . .
H32 H 0.4938 0.3527 0.0459 0.033 Uiso 1 1 calc R . .
C33 C 0.6870(8) 0.3252(7) -0.0317(4) 0.0300(15) Uani 1 1 d . . .
H33 H 0.6443 0.3818 -0.0705 0.036 Uiso 1 1 calc R . .
C34 C 0.8381(8) 0.2611(7) -0.0437(4) 0.0291(15) Uani 1 1 d . . .
H34 H 0.8995 0.2737 -0.0908 0.035 Uiso 1 1 calc R . .
C35 C 0.9003(7) 0.1792(7) 0.0122(4) 0.0250(13) Uani 1 1 d . . .
H35 H 1.0046 0.1367 0.0042 0.030 Uiso 1 1 calc R . .
C36 C 0.8103(7) 0.1586(6) 0.0808(4) 0.0210(12) Uani 1 1 d . . .
H36 H 0.8536 0.1012 0.1192 0.025 Uiso 1 1 calc R . .
Pt1 Pt 0.66557(2) 0.07025(2) 0.270210(13) 0.01641(7) Uani 1 1 d . . .
P1 P 0.60939(16) 0.22966(16) 0.36330(9) 0.0174(3) Uani 1 1 d . . .
P2 P 0.53712(17) 0.20578(16) 0.18472(9) 0.0180(3) Uani 1 1 d . . .
I1 I 0.84853(5) -0.10553(4) 0.34641(3) 0.03164(12) Uani 1 1 d . . .
I2 I 0.72122(5) -0.12814(5) 0.17083(3) 0.03236(12) Uani 1 1 d . . .
C51 C 0.079(2) 0.424(3) 0.0356(14) 0.027(2) Uani 0.305(4) 1 d PDU A 1
H51A H 0.1376 0.4270 0.0740 0.041 Uiso 0.305(4) 1 calc PR A 1
H51B H 0.0486 0.3438 0.0438 0.041 Uiso 0.305(4) 1 calc PR A 1
H51C H -0.0083 0.5059 0.0411 0.041 Uiso 0.305(4) 1 calc PR A 1
O51 O 0.1605(18) 0.4200(19) -0.0337(12) 0.028(2) Uani 0.305(4) 1 d PDU A 1
H51 H 0.2029 0.4786 -0.0373 0.042 Uiso 0.305(4) 1 calc PR A 1
C52 C 0.111(2) 0.421(3) 0.0778(13) 0.028(2) Uani 0.279(11) 1 d PDU B 2
H52A H 0.1982 0.4391 0.0864 0.042 Uiso 0.279(11) 1 calc PR B 2
H52B H 0.1094 0.3332 0.1007 0.042 Uiso 0.279(11) 1 calc PR B 2
H52C H 0.0210 0.4924 0.1019 0.042 Uiso 0.279(11) 1 calc PR B 2
O52 O 0.116(3) 0.417(2) 0.0023(13) 0.027(2) Uani 0.279(11) 1 d PDU B 2
H52 H 0.0376 0.4721 -0.0082 0.041 Uiso 0.279(11) 1 calc PR B 2
C53 C 0.0937(19) 0.4557(17) -0.0342(10) 0.028(2) Uani 0.415(11) 1 d PDU C 3
H53A H -0.0117 0.5072 -0.0176 0.042 Uiso 0.415(11) 1 calc PR C 3
H53B H 0.1060 0.3911 -0.0747 0.042 Uiso 0.415(11) 1 calc PR C 3
H53C H 0.1482 0.5182 -0.0543 0.042 Uiso 0.415(11) 1 calc PR C 3
O53 O 0.1454(16) 0.3898(14) 0.0248(9) 0.027(2) Uani 0.415(11) 1 d PDU C 3
H53 H 0.2384 0.3626 0.0140 0.041 Uiso 0.415(11) 1 calc PR C 3
 
 
_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
C1 C2 1.383(9) . ?
C1 C6 1.403(9) . ?
C1 P1 1.834(6) . ?
C2 C3 1.377(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.392(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.381(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.368(10) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.378(10) . ?
C7 C8 1.396(10) . ?
C7 P1 1.804(6) . ?
C8 C9 1.374(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.369(14) . ?
C9 H9 0.9500 . ?
C10 C11 1.367(14) . ?
C10 H10 0.9500 . ?
C11 C12 1.392(10) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.391(9) . ?
C13 C14 1.395(9) . ?
C13 P1 1.820(6) . ?
C14 C15 1.380(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.392(13) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.381(10) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.396(9) . ?
C19 C20 1.396(9) . ?
C19 P2 1.824(7) . ?
C20 C21 1.382(10) . ?
C20 H20 0.9500 . ?
C21 C22 1.376(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.382(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(9) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.383(9) . ?
C25 C30 1.393(9) . ?
C25 P2 1.831(6) . ?
C26 C27 1.381(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.386(10) . ?
C27 H27 0.9500 . ?
C28 C29 1.375(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.400(9) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.383(9) . ?
C31 C32 1.390(9) . ?
C31 P2 1.827(6) . ?
C32 C33 1.388(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.379(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.373(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.393(9) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
Pt1 P1 2.2735(16) . ?
Pt1 P2 2.2867(15) . ?
Pt1 I1 2.6303(5) . ?
Pt1 I2 2.6499(5) . ?
C51 O51 1.310(13) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
O51 H51 0.8400 . ?
C52 O52 1.333(14) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
O52 H52 0.8400 . ?
C53 O53 1.313(13) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
O53 H53 0.8400 . ?
 
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
C2 C1 C6 118.7(6) . . ?
C2 C1 P1 122.9(5) . . ?
C6 C1 P1 118.3(5) . . ?
C3 C2 C1 120.9(7) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C2 C3 C4 120.0(7) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 119.4(7) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C6 C5 C4 120.7(7) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C1 120.4(7) . . ?
C5 C6 H6 119.8 . . ?
C1 C6 H6 119.8 . . ?
C12 C7 C8 119.1(6) . . ?
C12 C7 P1 119.4(5) . . ?
C8 C7 P1 121.5(5) . . ?
C9 C8 C7 120.5(8) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C10 C9 C8 119.4(8) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C11 C10 C9 121.2(7) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C10 C11 C12 119.6(8) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C7 C12 C11 120.0(7) . . ?
C7 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C18 C13 C14 119.5(6) . . ?
C18 C13 P1 125.9(5) . . ?
C14 C13 P1 114.5(5) . . ?
C15 C14 C13 120.6(7) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 119.2(8) . . ?
C14 C15 H15 120.4 . . ?
C16 C15 H15 120.4 . . ?
C17 C16 C15 120.4(7) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C18 C17 C16 120.3(7) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C13 119.8(7) . . ?
C17 C18 H18 120.1 . . ?
C13 C18 H18 120.1 . . ?
C24 C19 C20 118.6(6) . . ?
C24 C19 P2 118.1(5) . . ?
C20 C19 P2 123.3(5) . . ?
C21 C20 C19 120.4(7) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 C20 120.5(7) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 119.9(7) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 120.2(7) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C19 120.5(6) . . ?
C23 C24 H24 119.8 . . ?
C19 C24 H24 119.8 . . ?
C26 C25 C30 119.1(6) . . ?
C26 C25 P2 118.3(5) . . ?
C30 C25 P2 122.5(5) . . ?
C27 C26 C25 121.4(6) . . ?
C27 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
C26 C27 C28 119.8(6) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C29 C28 C27 119.4(6) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C28 C29 C30 121.2(6) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 H29 119.4 . . ?
C25 C30 C29 119.1(6) . . ?
C25 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C36 C31 C32 118.9(6) . . ?
C36 C31 P2 122.0(5) . . ?
C32 C31 P2 118.9(5) . . ?
C33 C32 C31 120.6(6) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C34 C33 C32 119.7(6) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C35 C34 C33 120.3(6) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 120.0(6) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C31 C36 C35 120.4(6) . . ?
C31 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
P1 Pt1 P2 97.52(6) . . ?
P1 Pt1 I1 90.67(4) . . ?
P2 Pt1 I1 169.73(4) . . ?
P1 Pt1 I2 175.07(4) . . ?
P2 Pt1 I2 85.20(4) . . ?
I1 Pt1 I2 87.085(16) . . ?
C7 P1 C13 111.1(3) . . ?
C7 P1 C1 100.5(3) . . ?
C13 P1 C1 102.3(3) . . ?
C7 P1 Pt1 112.3(2) . . ?
C13 P1 Pt1 109.5(2) . . ?
C1 P1 Pt1 120.4(2) . . ?
C19 P2 C31 107.2(3) . . ?
C19 P2 C25 104.3(3) . . ?
C31 P2 C25 98.5(3) . . ?
C19 P2 Pt1 111.3(2) . . ?
C31 P2 Pt1 112.2(2) . . ?
C25 P2 Pt1 121.9(2) . . ?
O52 C52 H52A 109.5 . . ?
O52 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
O52 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C52 O52 H52 109.5 . . ?
 
_diffrn_measured_fraction_theta_max    0.996
_diffrn_reflns_theta_full              27.48
_diffrn_measured_fraction_theta_full   0.996
_refine_diff_density_max    1.356
_refine_diff_density_min   -2.453
_refine_diff_density_rms    0.195
