# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2008

data_global

_journal_coden_Cambridge         222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

loop_
_publ_author_name
'Risto Laitinen'
'Raija Oilunkaniemi'
'Ludmila Vigo'
'Andreas Wagner'
'Wolfgang Weigand'

_publ_contact_author_name        'Risto Laitinen'
_publ_contact_author_email       RISTO.LAITINEN@OULU.FI

_publ_section_title              
;
Oxidative addition of cyclic
1-oxa-5,6-ditelluraspirooctane to platinum(0) complexes
;

# Attachment 'cmpds.cif'

data_cmpd4
_database_code_depnum_ccdc_archive 'CCDC 678824'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H46 O2 P2 Pt2 Te4, C7 H8'
_chemical_formula_sum            'C53 H54 O2 P2 Pt2 Te4'
_chemical_formula_weight         1685.48

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   11.904(2)
_cell_length_b                   15.039(3)
_cell_length_c                   16.760(3)
_cell_angle_alpha                86.35(3)
_cell_angle_beta                 81.87(3)
_cell_angle_gamma                67.62(3)
_cell_volume                     2746.4(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9866
_cell_measurement_theta_min      2.97
_cell_measurement_theta_max      26.00

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.038
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1564
_exptl_absorpt_coefficient_mu    7.265
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2660
_exptl_absorpt_correction_T_max  0.3351
_exptl_absorpt_process_details   '(SHELXTL; Bruker 2001)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(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 Nonius Kappaccd'
_diffrn_measurement_method       '\f scans, and \w scans with \k offsets'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            40175
_diffrn_reflns_av_R_equivalents  0.0850
_diffrn_reflns_av_sigmaI/netI    0.0570
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.97
_diffrn_reflns_theta_max         26.00
_reflns_number_total             10607
_reflns_number_gt                9866
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND (Branderburg & Berndt, 1999)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0815P)^2^+15.6469P] where P=(Fo^2^+2Fc^2^)/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     SHELXL
_refine_ls_extinction_coef       0.0061(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         10607
_refine_ls_number_parameters     554
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0493
_refine_ls_wR_factor_ref         0.1375
_refine_ls_wR_factor_gt          0.1350
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_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 0.58972(2) 0.062934(19) 0.194803(16) 0.02247(12) Uani 1 1 d . . .
Pt2 Pt 0.42985(2) -0.079648(19) 0.129808(17) 0.02481(12) Uani 1 1 d . . .
Te1 Te 0.80567(4) 0.00838(4) 0.24110(3) 0.02881(14) Uani 1 1 d . . .
Te2 Te 0.65522(4) -0.08761(3) 0.10184(3) 0.02565(14) Uani 1 1 d . . .
Te3 Te 0.19908(5) -0.04451(4) 0.18084(4) 0.04251(18) Uani 1 1 d . . .
Te4 Te 0.39153(4) 0.10333(3) 0.12742(3) 0.02372(14) Uani 1 1 d . . .
P1 P 0.50942(18) 0.18200(13) 0.28642(11) 0.0247(4) Uani 1 1 d . . .
P2 P 0.45234(17) -0.23535(13) 0.12777(12) 0.0249(4) Uani 1 1 d . . .
O1 O 1.0185(9) -0.3432(6) 0.2194(9) 0.101(4) Uani 1 1 d . . .
O2 O -0.0530(6) 0.3041(5) 0.2013(5) 0.0568(19) Uani 1 1 d . . .
C1 C 0.9119(7) -0.1157(7) 0.1665(7) 0.048(3) Uani 1 1 d . . .
H1A H 0.8985 -0.0978 0.1098 0.058 Uiso 1 1 calc R . .
H1B H 0.9998 -0.1318 0.1701 0.058 Uiso 1 1 calc R . .
C2 C 0.8834(8) -0.2039(7) 0.1877(7) 0.050(3) Uani 1 1 d . . .
C3 C 0.7481(8) -0.1901(6) 0.1927(6) 0.0371(19) Uani 1 1 d . . .
H3A H 0.7062 -0.1666 0.2470 0.044 Uiso 1 1 calc R . .
H3B H 0.7423 -0.2528 0.1851 0.044 Uiso 1 1 calc R . .
C4 C 0.9349(12) -0.2597(8) 0.2661(10) 0.073(4) Uani 1 1 d . . .
H4A H 0.9774 -0.2280 0.2938 0.087 Uiso 1 1 calc R . .
H4B H 0.8723 -0.2738 0.3045 0.087 Uiso 1 1 calc R . .
C5 C 0.9727(13) -0.2945(9) 0.1431(11) 0.086(5) Uani 1 1 d . . .
H5A H 0.9313 -0.3280 0.1163 0.103 Uiso 1 1 calc R . .
H5B H 1.0368 -0.2826 0.1046 0.103 Uiso 1 1 calc R . .
C6 C 0.1166(7) 0.0986(6) 0.1304(5) 0.0354(18) Uani 1 1 d . . .
H6A H 0.1629 0.1020 0.0772 0.043 Uiso 1 1 calc R . .
H6B H 0.0318 0.1094 0.1217 0.043 Uiso 1 1 calc R . .
C7 C 0.1129(7) 0.1788(5) 0.1827(5) 0.0300(16) Uani 1 1 d . . .
C8 C 0.2312(7) 0.1593(6) 0.2174(5) 0.0299(16) Uani 1 1 d . . .
H8A H 0.2383 0.1123 0.2624 0.036 Uiso 1 1 calc R . .
H8B H 0.2286 0.2197 0.2394 0.036 Uiso 1 1 calc R . .
C9 C -0.0011(7) 0.2150(6) 0.2457(6) 0.0371(19) Uani 1 1 d . . .
H9A H -0.0510 0.1748 0.2499 0.044 Uiso 1 1 calc R . .
H9B H 0.0175 0.2246 0.2994 0.044 Uiso 1 1 calc R . .
C10 C 0.0567(8) 0.2795(7) 0.1438(6) 0.042(2) Uani 1 1 d . . .
H10A H 0.1039 0.3205 0.1475 0.050 Uiso 1 1 calc R . .
H10B H 0.0414 0.2773 0.0875 0.050 Uiso 1 1 calc R . .
C11 C 0.4297(7) 0.1458(6) 0.3762(5) 0.0306(16) Uani 1 1 d . . .
C12 C 0.3960(8) 0.2004(7) 0.4468(5) 0.042(2) Uani 1 1 d . . .
H12 H 0.4087 0.2589 0.4478 0.050 Uiso 1 1 calc R . .
C13 C 0.3431(9) 0.1661(8) 0.5159(6) 0.050(2) Uani 1 1 d . . .
H13 H 0.3197 0.2025 0.5639 0.059 Uiso 1 1 calc R . .
C14 C 0.3239(9) 0.0810(7) 0.5161(6) 0.046(2) Uani 1 1 d . . .
H14 H 0.2882 0.0591 0.5637 0.056 Uiso 1 1 calc R . .
C15 C 0.3569(8) 0.0291(7) 0.4472(6) 0.045(2) Uani 1 1 d . . .
H15 H 0.3437 -0.0293 0.4470 0.054 Uiso 1 1 calc R . .
C16 C 0.4099(7) 0.0600(6) 0.3767(5) 0.0333(17) Uani 1 1 d . . .
H16 H 0.4324 0.0227 0.3292 0.040 Uiso 1 1 calc R . .
C21 C 0.4011(7) 0.2940(5) 0.2483(5) 0.0278(16) Uani 1 1 d . . .
C22 C 0.4330(8) 0.3219(6) 0.1691(5) 0.0325(17) Uani 1 1 d . . .
H22 H 0.5055 0.2820 0.1375 0.039 Uiso 1 1 calc R . .
C23 C 0.3571(9) 0.4086(6) 0.1378(6) 0.041(2) Uani 1 1 d . . .
H23 H 0.3781 0.4274 0.0844 0.049 Uiso 1 1 calc R . .
C24 C 0.2536(10) 0.4666(7) 0.1824(6) 0.047(2) Uani 1 1 d . . .
H24 H 0.2033 0.5256 0.1601 0.057 Uiso 1 1 calc R . .
C25 C 0.2208(10) 0.4406(7) 0.2598(7) 0.050(2) Uani 1 1 d . . .
H25 H 0.1472 0.4813 0.2899 0.060 Uiso 1 1 calc R . .
C26 C 0.2949(8) 0.3545(6) 0.2947(6) 0.040(2) Uani 1 1 d . . .
H26 H 0.2735 0.3377 0.3487 0.048 Uiso 1 1 calc R . .
C31 C 0.6117(7) 0.2248(6) 0.3304(5) 0.0290(16) Uani 1 1 d . . .
C32 C 0.6283(8) 0.3093(6) 0.3032(5) 0.0349(18) Uani 1 1 d . . .
H32 H 0.5842 0.3472 0.2619 0.042 Uiso 1 1 calc R . .
C33 C 0.7095(9) 0.3377(8) 0.3367(6) 0.047(2) Uani 1 1 d . . .
H33 H 0.7229 0.3940 0.3171 0.057 Uiso 1 1 calc R . .
C34 C 0.7704(9) 0.2848(9) 0.3979(6) 0.049(3) Uani 1 1 d . . .
H34 H 0.8232 0.3058 0.4222 0.058 Uiso 1 1 calc R . .
C35 C 0.7548(9) 0.2012(8) 0.4240(6) 0.048(2) Uani 1 1 d . . .
H35 H 0.7989 0.1638 0.4654 0.057 Uiso 1 1 calc R . .
C36 C 0.6767(7) 0.1712(6) 0.3911(5) 0.0343(18) Uani 1 1 d . . .
H36 H 0.6669 0.1133 0.4099 0.041 Uiso 1 1 calc R . .
C41 C 0.3886(7) -0.2692(6) 0.2253(5) 0.0314(17) Uani 1 1 d . . .
C42 C 0.4269(8) -0.2446(7) 0.2933(5) 0.0369(19) Uani 1 1 d . . .
H42 H 0.4822 -0.2120 0.2865 0.044 Uiso 1 1 calc R . .
C43 C 0.3848(10) -0.2673(8) 0.3697(6) 0.048(2) Uani 1 1 d . . .
H43 H 0.4125 -0.2522 0.4155 0.058 Uiso 1 1 calc R . .
C44 C 0.3007(11) -0.3129(10) 0.3790(6) 0.060(3) Uani 1 1 d . . .
H44 H 0.2707 -0.3285 0.4314 0.072 Uiso 1 1 calc R . .
C45 C 0.2612(11) -0.3351(9) 0.3123(6) 0.059(3) Uani 1 1 d . . .
H45 H 0.2036 -0.3655 0.3192 0.071 Uiso 1 1 calc R . .
C46 C 0.3048(8) -0.3136(7) 0.2349(5) 0.0373(19) Uani 1 1 d . . .
H46 H 0.2773 -0.3292 0.1891 0.045 Uiso 1 1 calc R . .
C51 C 0.3785(6) -0.2662(6) 0.0505(5) 0.0271(16) Uani 1 1 d . . .
C52 C 0.3897(7) -0.3605(6) 0.0414(5) 0.0300(16) Uani 1 1 d . . .
H52 H 0.4379 -0.4100 0.0745 0.036 Uiso 1 1 calc R . .
C53 C 0.3314(8) -0.3830(6) -0.0155(5) 0.0330(17) Uani 1 1 d . . .
H53 H 0.3383 -0.4475 -0.0204 0.040 Uiso 1 1 calc R . .
C54 C 0.2627(8) -0.3118(7) -0.0657(5) 0.0359(18) Uani 1 1 d . . .
H54 H 0.2220 -0.3272 -0.1044 0.043 Uiso 1 1 calc R . .
C55 C 0.2546(8) -0.2185(6) -0.0584(5) 0.0351(18) Uani 1 1 d . . .
H55 H 0.2095 -0.1700 -0.0935 0.042 Uiso 1 1 calc R . .
C56 C 0.3122(7) -0.1940(5) 0.0001(5) 0.0283(16) Uani 1 1 d . . .
H56 H 0.3057 -0.1295 0.0049 0.034 Uiso 1 1 calc R . .
C61 C 0.6071(6) -0.3310(5) 0.1122(4) 0.0221(14) Uani 1 1 d . . .
C62 C 0.6473(8) -0.4068(6) 0.1660(5) 0.0338(17) Uani 1 1 d . . .
H62 H 0.5952 -0.4107 0.2135 0.041 Uiso 1 1 calc R . .
C63 C 0.7645(8) -0.4777(6) 0.1502(5) 0.0340(18) Uani 1 1 d . . .
H63 H 0.7934 -0.5285 0.1880 0.041 Uiso 1 1 calc R . .
C64 C 0.8387(8) -0.4740(6) 0.0797(6) 0.0378(19) Uani 1 1 d . . .
H64 H 0.9181 -0.5225 0.0687 0.045 Uiso 1 1 calc R . .
C65 C 0.7969(8) -0.3995(6) 0.0254(5) 0.0364(18) Uani 1 1 d . . .
H65 H 0.8478 -0.3975 -0.0232 0.044 Uiso 1 1 calc R . .
C66 C 0.6825(7) -0.3282(6) 0.0405(5) 0.0307(16) Uani 1 1 d . . .
H66 H 0.6547 -0.2773 0.0027 0.037 Uiso 1 1 calc R . .
C71 C 0.9471(9) 0.4481(8) 0.3911(6) 0.097(5) Uani 1 1 d G . .
H71 H 1.0281 0.4093 0.3694 0.117 Uiso 1 1 calc R . .
C72 C 0.8687(13) 0.5132(9) 0.3417(5) 0.129(9) Uani 1 1 d G . .
H72 H 0.8962 0.5188 0.2863 0.155 Uiso 1 1 calc R . .
C73 C 0.7502(13) 0.5700(7) 0.3735(7) 0.130(10) Uani 1 1 d G . .
H73 H 0.6966 0.6145 0.3397 0.156 Uiso 1 1 calc R . .
C74 C 0.7100(10) 0.5618(7) 0.4546(7) 0.142(10) Uani 1 1 d G . .
H74 H 0.6290 0.6007 0.4763 0.171 Uiso 1 1 calc R . .
C75 C 0.7884(10) 0.4968(8) 0.5040(5) 0.128(9) Uani 1 1 d G . .
H75 H 0.7609 0.4912 0.5594 0.153 Uiso 1 1 calc R . .
C76 C 0.9069(9) 0.4399(6) 0.4722(6) 0.091(5) Uani 1 1 d G . .
C77 C 0.9994(13) 0.3574(9) 0.5252(10) 0.162(12) Uani 1 1 d G . .
H77A H 1.0780 0.3258 0.4919 0.242 Uiso 1 1 calc R . .
H77B H 0.9636 0.3098 0.5440 0.242 Uiso 1 1 calc R . .
H77C H 1.0125 0.3870 0.5718 0.242 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.02192(17) 0.01793(17) 0.02774(18) -0.00125(11) -0.00429(11) -0.00714(12)
Pt2 0.02001(17) 0.01885(17) 0.03532(19) -0.00580(11) -0.00158(11) -0.00686(12)
Te1 0.0248(3) 0.0226(3) 0.0401(3) -0.0034(2) -0.0089(2) -0.0079(2)
Te2 0.0208(2) 0.0243(3) 0.0323(3) -0.00673(19) -0.00076(18) -0.00891(19)
Te3 0.0243(3) 0.0254(3) 0.0767(4) -0.0132(3) 0.0076(3) -0.0109(2)
Te4 0.0218(2) 0.0190(2) 0.0302(3) -0.00046(18) -0.00523(18) -0.00688(19)
P1 0.0268(9) 0.0187(9) 0.0278(9) -0.0018(7) -0.0046(7) -0.0072(7)
P2 0.0217(9) 0.0202(9) 0.0326(10) -0.0045(7) -0.0017(7) -0.0077(7)
O1 0.062(6) 0.039(5) 0.176(11) -0.004(6) -0.033(7) 0.016(4)
O2 0.041(4) 0.041(4) 0.068(5) 0.007(3) 0.002(3) 0.003(3)
C1 0.015(4) 0.050(6) 0.082(7) -0.032(5) -0.007(4) -0.010(4)
C2 0.022(4) 0.036(5) 0.090(8) -0.017(5) -0.026(5) -0.001(4)
C3 0.034(4) 0.020(4) 0.059(5) -0.001(4) -0.019(4) -0.007(3)
C4 0.069(8) 0.032(5) 0.127(11) 0.009(6) -0.058(8) -0.014(5)
C5 0.063(8) 0.043(7) 0.152(14) -0.053(8) -0.029(9) -0.007(6)
C6 0.022(4) 0.041(5) 0.045(5) -0.011(4) -0.001(3) -0.013(3)
C7 0.022(4) 0.018(4) 0.045(4) -0.001(3) -0.007(3) -0.001(3)
C8 0.027(4) 0.031(4) 0.031(4) -0.009(3) -0.001(3) -0.009(3)
C9 0.023(4) 0.032(4) 0.049(5) -0.004(4) 0.002(3) -0.005(3)
C10 0.023(4) 0.039(5) 0.062(6) 0.012(4) -0.011(4) -0.011(4)
C11 0.032(4) 0.027(4) 0.032(4) -0.003(3) -0.006(3) -0.010(3)
C12 0.040(5) 0.047(5) 0.039(5) -0.008(4) 0.003(4) -0.018(4)
C13 0.050(6) 0.062(7) 0.031(5) 0.002(4) 0.005(4) -0.019(5)
C14 0.047(5) 0.048(6) 0.044(5) 0.008(4) 0.002(4) -0.022(5)
C15 0.034(5) 0.044(5) 0.053(6) 0.010(4) 0.003(4) -0.014(4)
C16 0.028(4) 0.023(4) 0.047(5) 0.003(3) -0.004(3) -0.009(3)
C21 0.027(4) 0.023(4) 0.033(4) 0.001(3) -0.008(3) -0.009(3)
C22 0.036(4) 0.030(4) 0.033(4) -0.002(3) -0.005(3) -0.014(4)
C23 0.061(6) 0.028(4) 0.040(5) 0.009(4) -0.019(4) -0.021(4)
C24 0.051(6) 0.028(5) 0.054(6) -0.002(4) -0.021(5) -0.001(4)
C25 0.048(6) 0.034(5) 0.058(6) -0.007(4) -0.012(5) -0.001(4)
C26 0.035(5) 0.030(4) 0.042(5) -0.010(4) -0.008(4) 0.005(4)
C31 0.032(4) 0.030(4) 0.026(4) -0.006(3) -0.004(3) -0.012(3)
C32 0.040(5) 0.025(4) 0.040(4) -0.008(3) -0.002(4) -0.013(4)
C33 0.048(6) 0.052(6) 0.050(6) -0.015(5) 0.008(4) -0.031(5)
C34 0.042(5) 0.076(7) 0.040(5) -0.024(5) 0.002(4) -0.034(5)
C35 0.041(5) 0.067(7) 0.032(4) -0.013(4) -0.001(4) -0.016(5)
C36 0.030(4) 0.038(5) 0.033(4) -0.006(3) -0.010(3) -0.008(4)
C41 0.024(4) 0.029(4) 0.033(4) -0.008(3) 0.003(3) -0.003(3)
C42 0.029(4) 0.045(5) 0.036(4) -0.015(4) 0.003(3) -0.013(4)
C43 0.061(6) 0.051(6) 0.035(5) -0.008(4) -0.008(4) -0.021(5)
C44 0.069(7) 0.088(9) 0.033(5) -0.006(5) 0.006(5) -0.044(7)
C45 0.068(7) 0.079(8) 0.044(6) -0.010(5) 0.012(5) -0.047(7)
C46 0.036(4) 0.044(5) 0.034(4) -0.007(4) -0.001(3) -0.018(4)
C51 0.018(3) 0.025(4) 0.041(4) -0.003(3) -0.005(3) -0.009(3)
C52 0.027(4) 0.022(4) 0.040(4) 0.001(3) -0.004(3) -0.009(3)
C53 0.037(4) 0.031(4) 0.037(4) -0.002(3) -0.009(3) -0.018(4)
C54 0.036(4) 0.044(5) 0.036(4) -0.001(4) -0.010(3) -0.023(4)
C55 0.038(4) 0.037(5) 0.034(4) 0.011(3) -0.012(3) -0.017(4)
C56 0.028(4) 0.019(4) 0.040(4) 0.004(3) -0.007(3) -0.010(3)
C61 0.021(3) 0.016(3) 0.030(4) -0.009(3) -0.002(3) -0.008(3)
C62 0.038(4) 0.032(4) 0.030(4) -0.003(3) -0.002(3) -0.012(4)
C63 0.035(4) 0.024(4) 0.042(5) 0.001(3) -0.017(4) -0.006(3)
C64 0.023(4) 0.032(5) 0.054(5) -0.005(4) -0.006(4) -0.005(3)
C65 0.030(4) 0.038(5) 0.040(5) -0.005(4) 0.001(3) -0.014(4)
C66 0.031(4) 0.026(4) 0.033(4) -0.001(3) -0.001(3) -0.009(3)
C71 0.105(13) 0.096(12) 0.096(11) -0.015(9) 0.026(10) -0.055(11)
C72 0.21(3) 0.146(19) 0.112(15) 0.052(14) -0.091(17) -0.14(2)
C73 0.23(3) 0.063(10) 0.073(11) -0.003(8) -0.076(14) -0.008(13)
C74 0.22(3) 0.043(8) 0.123(16) -0.023(9) -0.070(16) 0.016(11)
C75 0.21(2) 0.20(2) 0.062(9) 0.041(12) -0.050(12) -0.17(2)
C76 0.097(12) 0.090(11) 0.113(13) 0.018(10) -0.017(10) -0.066(10)
C77 0.15(2) 0.126(18) 0.26(3) 0.076(19) -0.14(2) -0.077(16)

_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 P1 2.260(2) . ?
Pt1 Te1 2.6001(9) . ?
Pt1 Te4 2.6048(9) . ?
Pt1 Te2 2.6311(10) . ?
Pt2 P2 2.2551(19) . ?
Pt2 Te4 2.6109(8) . ?
Pt2 Te2 2.6150(8) . ?
Pt2 Te3 2.6163(10) . ?
Te1 C1 2.167(9) . ?
Te2 C3 2.190(9) . ?
Te3 C6 2.169(9) . ?
Te4 C8 2.180(8) . ?
P1 C11 1.829(8) . ?
P1 C31 1.830(8) . ?
P1 C21 1.831(8) . ?
P2 C41 1.829(8) . ?
P2 C51 1.838(8) . ?
P2 C61 1.851(7) . ?
O1 C4 1.461(17) . ?
O1 C5 1.50(2) . ?
O2 C10 1.447(11) . ?
O2 C9 1.450(11) . ?
C1 C2 1.500(15) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C5 1.532(14) . ?
C2 C3 1.533(12) . ?
C2 C4 1.583(17) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.519(11) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.517(11) . ?
C7 C9 1.536(11) . ?
C7 C10 1.547(11) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C16 1.397(11) . ?
C11 C12 1.404(12) . ?
C12 C13 1.402(13) . ?
C12 H12 0.9500 . ?
C13 C14 1.383(15) . ?
C13 H13 0.9500 . ?
C14 C15 1.361(15) . ?
C14 H14 0.9500 . ?
C15 C16 1.397(12) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C26 1.402(11) . ?
C21 C22 1.411(11) . ?
C22 C23 1.394(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.357(15) . ?
C23 H23 0.9500 . ?
C24 C25 1.377(15) . ?
C24 H24 0.9500 . ?
C25 C26 1.406(13) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C36 1.389(11) . ?
C31 C32 1.398(12) . ?
C32 C33 1.390(13) . ?
C32 H32 0.9500 . ?
C33 C34 1.370(16) . ?
C33 H33 0.9500 . ?
C34 C35 1.375(16) . ?
C34 H34 0.9500 . ?
C35 C36 1.367(13) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C46 1.384(12) . ?
C41 C42 1.403(12) . ?
C42 C43 1.380(13) . ?
C42 H42 0.9500 . ?
C43 C44 1.400(15) . ?
C43 H43 0.9500 . ?
C44 C45 1.377(15) . ?
C44 H44 0.9500 . ?
C45 C46 1.394(14) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 C52 1.389(11) . ?
C51 C56 1.391(11) . ?
C52 C53 1.383(11) . ?
C52 H52 0.9500 . ?
C53 C54 1.390(12) . ?
C53 H53 0.9500 . ?
C54 C55 1.382(12) . ?
C54 H54 0.9500 . ?
C55 C56 1.413(11) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C61 C62 1.385(11) . ?
C61 C66 1.402(11) . ?
C62 C63 1.397(12) . ?
C62 H62 0.9500 . ?
C63 C64 1.383(13) . ?
C63 H63 0.9500 . ?
C64 C65 1.380(13) . ?
C64 H64 0.9500 . ?
C65 C66 1.376(12) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C71 C72 1.3900 . ?
C71 C76 1.3900 . ?
C71 H71 0.9500 . ?
C72 C73 1.3900 . ?
C72 H72 0.9500 . ?
C73 C74 1.3900 . ?
C73 H73 0.9500 . ?
C74 C75 1.3900 . ?
C74 H74 0.9500 . ?
C75 C76 1.3900 . ?
C75 H75 0.9500 . ?
C76 C77 1.6242 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 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
P1 Pt1 Te1 92.16(6) . . ?
P1 Pt1 Te4 96.34(6) . . ?
Te1 Pt1 Te4 170.94(2) . . ?
P1 Pt1 Te2 169.90(5) . . ?
Te1 Pt1 Te2 92.66(4) . . ?
Te4 Pt1 Te2 79.44(3) . . ?
P2 Pt2 Te4 176.35(5) . . ?
P2 Pt2 Te2 103.24(6) . . ?
Te4 Pt2 Te2 79.62(4) . . ?
P2 Pt2 Te3 85.93(6) . . ?
Te4 Pt2 Te3 91.58(4) . . ?
Te2 Pt2 Te3 167.71(2) . . ?
C1 Te1 Pt1 102.8(2) . . ?
C3 Te2 Pt2 103.7(2) . . ?
C3 Te2 Pt1 94.2(2) . . ?
Pt2 Te2 Pt1 88.48(4) . . ?
C6 Te3 Pt2 99.8(2) . . ?
C8 Te4 Pt1 109.7(2) . . ?
C8 Te4 Pt2 101.7(2) . . ?
Pt1 Te4 Pt2 89.14(3) . . ?
C11 P1 C31 101.8(4) . . ?
C11 P1 C21 107.4(4) . . ?
C31 P1 C21 101.7(4) . . ?
C11 P1 Pt1 111.3(3) . . ?
C31 P1 Pt1 119.4(3) . . ?
C21 P1 Pt1 113.9(3) . . ?
C41 P2 C51 107.0(4) . . ?
C41 P2 C61 102.3(3) . . ?
C51 P2 C61 100.8(3) . . ?
C41 P2 Pt2 109.5(3) . . ?
C51 P2 Pt2 115.5(3) . . ?
C61 P2 Pt2 120.3(2) . . ?
C4 O1 C5 90.6(8) . . ?
C10 O2 C9 91.3(6) . . ?
C2 C1 Te1 115.4(7) . . ?
C2 C1 H1A 108.4 . . ?
Te1 C1 H1A 108.4 . . ?
C2 C1 H1B 108.4 . . ?
Te1 C1 H1B 108.4 . . ?
H1A C1 H1B 107.5 . . ?
C1 C2 C5 114.2(10) . . ?
C1 C2 C3 115.8(7) . . ?
C5 C2 C3 114.5(8) . . ?
C1 C2 C4 115.1(8) . . ?
C5 C2 C4 84.9(10) . . ?
C3 C2 C4 108.4(10) . . ?
C2 C3 Te2 112.1(7) . . ?
C2 C3 H3A 109.2 . . ?
Te2 C3 H3A 109.2 . . ?
C2 C3 H3B 109.2 . . ?
Te2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
O1 C4 C2 91.9(10) . . ?
O1 C4 H4A 113.3 . . ?
C2 C4 H4A 113.3 . . ?
O1 C4 H4B 113.3 . . ?
C2 C4 H4B 113.3 . . ?
H4A C4 H4B 110.6 . . ?
O1 C5 C2 92.5(11) . . ?
O1 C5 H5A 113.2 . . ?
C2 C5 H5A 113.2 . . ?
O1 C5 H5B 113.2 . . ?
C2 C5 H5B 113.2 . . ?
H5A C5 H5B 110.5 . . ?
C7 C6 Te3 114.2(6) . . ?
C7 C6 H6A 108.7 . . ?
Te3 C6 H6A 108.7 . . ?
C7 C6 H6B 108.7 . . ?
Te3 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
C8 C7 C6 114.2(6) . . ?
C8 C7 C9 113.1(7) . . ?
C6 C7 C9 113.9(7) . . ?
C8 C7 C10 115.1(7) . . ?
C6 C7 C10 112.7(7) . . ?
C9 C7 C10 84.5(6) . . ?
C7 C8 Te4 112.1(5) . . ?
C7 C8 H8A 109.2 . . ?
Te4 C8 H8A 109.2 . . ?
C7 C8 H8B 109.2 . . ?
Te4 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
O2 C9 C7 92.0(6) . . ?
O2 C9 H9A 113.3 . . ?
C7 C9 H9A 113.3 . . ?
O2 C9 H9B 113.3 . . ?
C7 C9 H9B 113.3 . . ?
H9A C9 H9B 110.6 . . ?
O2 C10 C7 91.7(7) . . ?
O2 C10 H10A 113.3 . . ?
C7 C10 H10A 113.3 . . ?
O2 C10 H10B 113.3 . . ?
C7 C10 H10B 113.3 . . ?
H10A C10 H10B 110.7 . . ?
C16 C11 C12 119.6(8) . . ?
C16 C11 P1 120.0(6) . . ?
C12 C11 P1 120.3(6) . . ?
C13 C12 C11 118.3(9) . . ?
C13 C12 H12 120.9 . . ?
C11 C12 H12 120.9 . . ?
C14 C13 C12 122.0(9) . . ?
C14 C13 H13 119.0 . . ?
C12 C13 H13 119.0 . . ?
C15 C14 C13 119.0(9) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C14 C15 C16 121.4(9) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 H15 119.3 . . ?
C15 C16 C11 119.8(9) . . ?
C15 C16 H16 120.1 . . ?
C11 C16 H16 120.1 . . ?
C26 C21 C22 119.6(8) . . ?
C26 C21 P1 123.8(6) . . ?
C22 C21 P1 116.4(6) . . ?
C23 C22 C21 119.3(8) . . ?
C23 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
C24 C23 C22 121.0(9) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C23 C24 C25 120.6(9) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C24 C25 C26 120.7(9) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C21 C26 C25 118.7(9) . . ?
C21 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
C36 C31 C32 118.9(8) . . ?
C36 C31 P1 119.4(6) . . ?
C32 C31 P1 121.7(6) . . ?
C33 C32 C31 119.8(9) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C34 C33 C32 120.2(9) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 119.9(9) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 120.9(10) . . ?
C36 C35 H35 119.6 . . ?
C34 C35 H35 119.6 . . ?
C35 C36 C31 120.3(9) . . ?
C35 C36 H36 119.8 . . ?
C31 C36 H36 119.8 . . ?
C46 C41 C42 120.0(8) . . ?
C46 C41 P2 124.2(6) . . ?
C42 C41 P2 115.8(6) . . ?
C43 C42 C41 120.4(8) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C42 C43 C44 119.3(9) . . ?
C42 C43 H43 120.3 . . ?
C44 C43 H43 120.3 . . ?
C45 C44 C43 120.1(9) . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C44 C45 C46 120.8(10) . . ?
C44 C45 H45 119.6 . . ?
C46 C45 H45 119.6 . . ?
C41 C46 C45 119.2(9) . . ?
C41 C46 H46 120.4 . . ?
C45 C46 H46 120.4 . . ?
C52 C51 C56 120.1(7) . . ?
C52 C51 P2 120.7(6) . . ?
C56 C51 P2 119.1(6) . . ?
C53 C52 C51 120.5(8) . . ?
C53 C52 H52 119.7 . . ?
C51 C52 H52 119.7 . . ?
C52 C53 C54 120.5(8) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C55 C54 C53 119.1(8) . . ?
C55 C54 H54 120.5 . . ?
C53 C54 H54 120.5 . . ?
C54 C55 C56 121.3(7) . . ?
C54 C55 H55 119.4 . . ?
C56 C55 H55 119.4 . . ?
C51 C56 C55 118.5(7) . . ?
C51 C56 H56 120.7 . . ?
C55 C56 H56 120.7 . . ?
C62 C61 C66 119.7(7) . . ?
C62 C61 P2 122.5(6) . . ?
C66 C61 P2 117.7(6) . . ?
C61 C62 C63 119.8(8) . . ?
C61 C62 H62 120.1 . . ?
C63 C62 H62 120.1 . . ?
C64 C63 C62 120.1(8) . . ?
C64 C63 H63 119.9 . . ?
C62 C63 H63 119.9 . . ?
C65 C64 C63 119.7(8) . . ?
C65 C64 H64 120.1 . . ?
C63 C64 H64 120.1 . . ?
C66 C65 C64 121.0(8) . . ?
C66 C65 H65 119.5 . . ?
C64 C65 H65 119.5 . . ?
C65 C66 C61 119.7(8) . . ?
C65 C66 H66 120.2 . . ?
C61 C66 H66 120.2 . . ?
C72 C71 C76 120.0 . . ?
C72 C71 H71 120.0 . . ?
C76 C71 H71 120.0 . . ?
C73 C72 C71 120.0 . . ?
C73 C72 H72 120.0 . . ?
C71 C72 H72 120.0 . . ?
C72 C73 C74 120.0 . . ?
C72 C73 H73 120.0 . . ?
C74 C73 H73 120.0 . . ?
C75 C74 C73 120.0 . . ?
C75 C74 H74 120.0 . . ?
C73 C74 H74 120.0 . . ?
C74 C75 C76 120.0 . . ?
C74 C75 H75 120.0 . . ?
C76 C75 H75 120.0 . . ?
C75 C76 C71 120.0 . . ?
C75 C76 C77 122.3 . . ?
C71 C76 C77 117.6 . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 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
P1 Pt1 Te1 C1 177.4(3) . . . . ?
Te4 Pt1 Te1 C1 -22.9(4) . . . . ?
Te2 Pt1 Te1 C1 6.2(3) . . . . ?
P2 Pt2 Te2 C3 -53.1(2) . . . . ?
Te4 Pt2 Te2 C3 129.2(2) . . . . ?
Te3 Pt2 Te2 C3 84.4(3) . . . . ?
P2 Pt2 Te2 Pt1 -147.09(5) . . . . ?
Te4 Pt2 Te2 Pt1 35.24(2) . . . . ?
Te3 Pt2 Te2 Pt1 -9.57(11) . . . . ?
P1 Pt1 Te2 C3 -73.0(4) . . . . ?
Te1 Pt1 Te2 C3 45.5(2) . . . . ?
Te4 Pt1 Te2 C3 -138.9(2) . . . . ?
P1 Pt1 Te2 Pt2 30.6(3) . . . . ?
Te1 Pt1 Te2 Pt2 149.11(2) . . . . ?
Te4 Pt1 Te2 Pt2 -35.36(2) . . . . ?
P2 Pt2 Te3 C6 -149.5(2) . . . . ?
Te4 Pt2 Te3 C6 27.8(2) . . . . ?
Te2 Pt2 Te3 C6 71.7(3) . . . . ?
P1 Pt1 Te4 C8 -33.2(2) . . . . ?
Te1 Pt1 Te4 C8 167.2(3) . . . . ?
Te2 Pt1 Te4 C8 137.6(2) . . . . ?
P1 Pt1 Te4 Pt2 -135.31(5) . . . . ?
Te1 Pt1 Te4 Pt2 65.07(12) . . . . ?
Te2 Pt1 Te4 Pt2 35.42(2) . . . . ?
P2 Pt2 Te4 C8 72.8(8) . . . . ?
Te2 Pt2 Te4 C8 -145.6(2) . . . . ?
Te3 Pt2 Te4 C8 25.8(2) . . . . ?
P2 Pt2 Te4 Pt1 -177.2(8) . . . . ?
Te2 Pt2 Te4 Pt1 -35.64(2) . . . . ?
Te3 Pt2 Te4 Pt1 135.73(2) . . . . ?
Te1 Pt1 P1 C11 -98.6(3) . . . . ?
Te4 Pt1 P1 C11 84.6(3) . . . . ?
Te2 Pt1 P1 C11 20.0(4) . . . . ?
Te1 Pt1 P1 C31 19.6(3) . . . . ?
Te4 Pt1 P1 C31 -157.3(3) . . . . ?
Te2 Pt1 P1 C31 138.1(4) . . . . ?
Te1 Pt1 P1 C21 139.8(3) . . . . ?
Te4 Pt1 P1 C21 -37.0(3) . . . . ?
Te2 Pt1 P1 C21 -101.6(4) . . . . ?
Te4 Pt2 P2 C41 -99.0(8) . . . . ?
Te2 Pt2 P2 C41 119.9(3) . . . . ?
Te3 Pt2 P2 C41 -51.8(3) . . . . ?
Te4 Pt2 P2 C51 21.8(9) . . . . ?
Te2 Pt2 P2 C51 -119.3(3) . . . . ?
Te3 Pt2 P2 C51 69.0(3) . . . . ?
Te4 Pt2 P2 C61 143.0(8) . . . . ?
Te2 Pt2 P2 C61 1.9(3) . . . . ?
Te3 Pt2 P2 C61 -169.8(3) . . . . ?
Pt1 Te1 C1 C2 -72.0(7) . . . . ?
Te1 C1 C2 C5 -170.9(8) . . . . ?
Te1 C1 C2 C3 52.9(11) . . . . ?
Te1 C1 C2 C4 -75.0(10) . . . . ?
C1 C2 C3 Te2 36.5(11) . . . . ?
C5 C2 C3 Te2 -99.6(11) . . . . ?
C4 C2 C3 Te2 167.6(6) . . . . ?
Pt2 Te2 C3 C2 -178.9(6) . . . . ?
Pt1 Te2 C3 C2 -89.5(6) . . . . ?
C5 O1 C4 C2 -0.5(10) . . . . ?
C1 C2 C4 O1 -113.9(9) . . . . ?
C5 C2 C4 O1 0.5(10) . . . . ?
C3 C2 C4 O1 114.6(9) . . . . ?
C4 O1 C5 C2 0.5(10) . . . . ?
C1 C2 C5 O1 114.8(11) . . . . ?
C3 C2 C5 O1 -108.4(11) . . . . ?
C4 C2 C5 O1 -0.5(9) . . . . ?
Pt2 Te3 C6 C7 -85.3(6) . . . . ?
Te3 C6 C7 C8 44.6(9) . . . . ?
Te3 C6 C7 C9 -87.5(7) . . . . ?
Te3 C6 C7 C10 178.5(5) . . . . ?
C6 C7 C8 Te4 45.6(8) . . . . ?
C9 C7 C8 Te4 178.0(5) . . . . ?
C10 C7 C8 Te4 -87.1(8) . . . . ?
Pt1 Te4 C8 C7 -176.7(5) . . . . ?
Pt2 Te4 C8 C7 -83.4(5) . . . . ?
C10 O2 C9 C7 -5.4(7) . . . . ?
C8 C7 C9 O2 120.0(7) . . . . ?
C6 C7 C9 O2 -107.4(8) . . . . ?
C10 C7 C9 O2 5.1(7) . . . . ?
C9 O2 C10 C7 5.4(7) . . . . ?
C8 C7 C10 O2 -118.0(7) . . . . ?
C6 C7 C10 O2 108.5(8) . . . . ?
C9 C7 C10 O2 -5.1(7) . . . . ?
C31 P1 C11 C16 -137.2(7) . . . . ?
C21 P1 C11 C16 116.4(7) . . . . ?
Pt1 P1 C11 C16 -8.9(7) . . . . ?
C31 P1 C11 C12 38.2(8) . . . . ?
C21 P1 C11 C12 -68.3(8) . . . . ?
Pt1 P1 C11 C12 166.5(6) . . . . ?
C16 C11 C12 C13 -0.1(13) . . . . ?
P1 C11 C12 C13 -175.4(7) . . . . ?
C11 C12 C13 C14 0.2(15) . . . . ?
C12 C13 C14 C15 -0.3(16) . . . . ?
C13 C14 C15 C16 0.2(15) . . . . ?
C14 C15 C16 C11 -0.1(14) . . . . ?
C12 C11 C16 C15 0.0(12) . . . . ?
P1 C11 C16 C15 175.4(7) . . . . ?
C11 P1 C21 C26 19.2(8) . . . . ?
C31 P1 C21 C26 -87.3(8) . . . . ?
Pt1 P1 C21 C26 142.9(7) . . . . ?
C11 P1 C21 C22 -164.8(6) . . . . ?
C31 P1 C21 C22 88.7(7) . . . . ?
Pt1 P1 C21 C22 -41.0(7) . . . . ?
C26 C21 C22 C23 -1.0(12) . . . . ?
P1 C21 C22 C23 -177.2(6) . . . . ?
C21 C22 C23 C24 0.3(14) . . . . ?
C22 C23 C24 C25 -0.4(16) . . . . ?
C23 C24 C25 C26 1.3(17) . . . . ?
C22 C21 C26 C25 1.8(13) . . . . ?
P1 C21 C26 C25 177.7(7) . . . . ?
C24 C25 C26 C21 -2.0(15) . . . . ?
C11 P1 C31 C36 44.8(7) . . . . ?
C21 P1 C31 C36 155.6(6) . . . . ?
Pt1 P1 C31 C36 -78.2(7) . . . . ?
C11 P1 C31 C32 -136.7(7) . . . . ?
C21 P1 C31 C32 -25.9(8) . . . . ?
Pt1 P1 C31 C32 100.4(7) . . . . ?
C36 C31 C32 C33 0.4(12) . . . . ?
P1 C31 C32 C33 -178.1(7) . . . . ?
C31 C32 C33 C34 -2.0(14) . . . . ?
C32 C33 C34 C35 2.6(14) . . . . ?
C33 C34 C35 C36 -1.7(14) . . . . ?
C34 C35 C36 C31 0.1(13) . . . . ?
C32 C31 C36 C35 0.5(12) . . . . ?
P1 C31 C36 C35 179.1(7) . . . . ?
C51 P2 C41 C46 2.6(8) . . . . ?
C61 P2 C41 C46 -102.8(7) . . . . ?
Pt2 P2 C41 C46 128.5(7) . . . . ?
C51 P2 C41 C42 -175.4(6) . . . . ?
C61 P2 C41 C42 79.1(7) . . . . ?
Pt2 P2 C41 C42 -49.5(7) . . . . ?
C46 C41 C42 C43 2.3(13) . . . . ?
P2 C41 C42 C43 -179.6(7) . . . . ?
C41 C42 C43 C44 -1.8(15) . . . . ?
C42 C43 C44 C45 0.4(18) . . . . ?
C43 C44 C45 C46 1(2) . . . . ?
C42 C41 C46 C45 -1.3(14) . . . . ?
P2 C41 C46 C45 -179.3(8) . . . . ?
C44 C45 C46 C41 -0.1(18) . . . . ?
C41 P2 C51 C52 -60.2(7) . . . . ?
C61 P2 C51 C52 46.4(7) . . . . ?
Pt2 P2 C51 C52 177.6(5) . . . . ?
C41 P2 C51 C56 120.7(6) . . . . ?
C61 P2 C51 C56 -132.7(6) . . . . ?
Pt2 P2 C51 C56 -1.5(7) . . . . ?
C56 C51 C52 C53 -2.5(12) . . . . ?
P2 C51 C52 C53 178.3(6) . . . . ?
C51 C52 C53 C54 1.4(13) . . . . ?
C52 C53 C54 C55 0.7(13) . . . . ?
C53 C54 C55 C56 -1.6(13) . . . . ?
C52 C51 C56 C55 1.6(11) . . . . ?
P2 C51 C56 C55 -179.2(6) . . . . ?
C54 C55 C56 C51 0.4(12) . . . . ?
C41 P2 C61 C62 2.6(7) . . . . ?
C51 P2 C61 C62 -107.6(7) . . . . ?
Pt2 P2 C61 C62 124.2(6) . . . . ?
C41 P2 C61 C66 178.9(6) . . . . ?
C51 P2 C61 C66 68.6(6) . . . . ?
Pt2 P2 C61 C66 -59.5(6) . . . . ?
C66 C61 C62 C63 2.8(12) . . . . ?
P2 C61 C62 C63 179.0(6) . . . . ?
C61 C62 C63 C64 -2.3(13) . . . . ?
C62 C63 C64 C65 0.7(13) . . . . ?
C63 C64 C65 C66 0.5(13) . . . . ?
C64 C65 C66 C61 0.0(13) . . . . ?
C62 C61 C66 C65 -1.7(12) . . . . ?
P2 C61 C66 C65 -178.0(6) . . . . ?
C76 C71 C72 C73 0.0 . . . . ?
C71 C72 C73 C74 0.0 . . . . ?
C72 C73 C74 C75 0.0 . . . . ?
C73 C74 C75 C76 0.0 . . . . ?
C74 C75 C76 C71 0.0 . . . . ?
C74 C75 C76 C77 -175.5 . . . . ?
C72 C71 C76 C75 0.0 . . . . ?
C72 C71 C76 C77 175.7 . . . . ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         2.783
_refine_diff_density_min         -1.578
_refine_diff_density_rms         0.253

#======END==========

data_cmpd6
_database_code_depnum_ccdc_archive 'CCDC 678825'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H34 O P2 Pt Te2'
_chemical_formula_sum            'C39 H34 O P2 Pt Te2'
_chemical_formula_weight         1030.89

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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   P21/n
_symmetry_space_group_name_Hall  '-P 2yn'

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                   16.993(3)
_cell_length_b                   10.613(2)
_cell_length_c                   18.855(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.74(3)
_cell_angle_gamma                90.00
_cell_volume                     3396.7(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    6214
_cell_measurement_theta_min      3.07
_cell_measurement_theta_max      26.00

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.016
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1952
_exptl_absorpt_coefficient_mu    5.940
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3331
_exptl_absorpt_correction_T_max  0.4084
_exptl_absorpt_process_details   '(SHELXTL; Bruker 2001)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(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 Nonius Kappaccd'
_diffrn_measurement_method       '\f scans, and \w scans with \k offsets'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30157
_diffrn_reflns_av_R_equivalents  0.1040
_diffrn_reflns_av_sigmaI/netI    0.0592
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6582
_reflns_number_gt                6214
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND (Branderburg & Berndt, 1999)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.1010P)^2^+5.6106P] where P=(Fo^2^+2Fc^2^)/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     SHELXL
_refine_ls_extinction_coef       0.0084(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         6582
_refine_ls_number_parameters     407
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0570
_refine_ls_wR_factor_ref         0.1522
_refine_ls_wR_factor_gt          0.1441
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_restrained_S_all      1.157
_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 0.838499(13) 0.04983(2) 0.442543(12) 0.01494(15) Uani 1 1 d . . .
Te1 Te 0.95007(3) 0.21987(4) 0.43711(2) 0.02449(18) Uani 1 1 d . . .
Te2 Te 0.89147(3) -0.06554(4) 0.33093(2) 0.02027(17) Uani 1 1 d . . .
P1 P 0.77682(9) 0.15681(16) 0.52731(9) 0.0163(3) Uani 1 1 d . . .
P2 P 0.74455(9) -0.09886(16) 0.44713(9) 0.0160(3) Uani 1 1 d . . .
O1 O 1.1039(5) 0.1506(8) 0.2118(4) 0.069(2) Uani 1 1 d . . .
C1 C 1.0394(4) 0.1319(7) 0.3743(4) 0.0264(15) Uani 1 1 d . . .
H1A H 1.0894 0.1784 0.3830 0.032 Uiso 1 1 calc R . .
H1B H 1.0479 0.0449 0.3920 0.032 Uiso 1 1 calc R . .
C2 C 1.0221(4) 0.1255(7) 0.2942(4) 0.0241(14) Uani 1 1 d . . .
C3 C 0.9387(4) 0.0913(7) 0.2724(4) 0.0250(15) Uani 1 1 d . . .
H3A H 0.9361 0.0700 0.2212 0.030 Uiso 1 1 calc R . .
H3B H 0.9048 0.1659 0.2788 0.030 Uiso 1 1 calc R . .
C4 C 1.0538(6) 0.2354(8) 0.2490(5) 0.040(2) Uani 1 1 d . . .
H4A H 1.0127 0.2757 0.2178 0.049 Uiso 1 1 calc R . .
H4B H 1.0834 0.2994 0.2776 0.049 Uiso 1 1 calc R . .
C5 C 1.0852(5) 0.0466(8) 0.2564(5) 0.0353(19) Uani 1 1 d . . .
H5A H 1.1298 0.0198 0.2886 0.042 Uiso 1 1 calc R . .
H5B H 1.0627 -0.0264 0.2297 0.042 Uiso 1 1 calc R . .
C11 C 0.8340(4) 0.2827(6) 0.5719(3) 0.0184(13) Uani 1 1 d . . .
C12 C 0.9029(4) 0.2512(7) 0.6101(3) 0.0198(13) Uani 1 1 d . . .
H12 H 0.9174 0.1651 0.6151 0.024 Uiso 1 1 calc R . .
C13 C 0.9508(4) 0.3433(7) 0.6410(4) 0.0232(14) Uani 1 1 d . . .
H13 H 0.9966 0.3201 0.6690 0.028 Uiso 1 1 calc R . .
C14 C 0.9321(4) 0.4700(7) 0.6313(4) 0.0257(16) Uani 1 1 d . . .
H14 H 0.9659 0.5331 0.6515 0.031 Uiso 1 1 calc R . .
C15 C 0.8644(4) 0.5045(7) 0.5922(4) 0.0245(14) Uani 1 1 d . . .
H15 H 0.8520 0.5910 0.5850 0.029 Uiso 1 1 calc R . .
C16 C 0.8136(4) 0.4091(7) 0.5629(4) 0.0214(14) Uani 1 1 d . . .
H16 H 0.7662 0.4315 0.5374 0.026 Uiso 1 1 calc R . .
C21 C 0.6880(4) 0.2359(6) 0.4914(4) 0.0199(13) Uani 1 1 d . . .
C22 C 0.6275(4) 0.2697(8) 0.5350(5) 0.0324(17) Uani 1 1 d . . .
H22 H 0.6312 0.2492 0.5841 0.039 Uiso 1 1 calc R . .
C23 C 0.5611(5) 0.3342(9) 0.5064(6) 0.044(2) Uani 1 1 d . . .
H23 H 0.5196 0.3577 0.5358 0.053 Uiso 1 1 calc R . .
C24 C 0.5571(5) 0.3634(9) 0.4333(5) 0.042(2) Uani 1 1 d . . .
H24 H 0.5126 0.4071 0.4130 0.051 Uiso 1 1 calc R . .
C25 C 0.6163(5) 0.3293(9) 0.3920(5) 0.040(2) Uani 1 1 d . . .
H25 H 0.6124 0.3494 0.3429 0.048 Uiso 1 1 calc R . .
C26 C 0.6830(5) 0.2657(8) 0.4190(4) 0.0311(16) Uani 1 1 d . . .
H26 H 0.7240 0.2431 0.3889 0.037 Uiso 1 1 calc R . .
C31 C 0.6522(4) -0.0534(7) 0.4005(4) 0.0220(15) Uani 1 1 d . . .
C32 C 0.5790(4) -0.0618(7) 0.4298(4) 0.0270(16) Uani 1 1 d . . .
H32 H 0.5745 -0.0980 0.4755 0.032 Uiso 1 1 calc R . .
C33 C 0.5124(4) -0.0176(9) 0.3925(5) 0.0351(18) Uani 1 1 d . . .
H33 H 0.4625 -0.0235 0.4129 0.042 Uiso 1 1 calc R . .
C34 C 0.5180(5) 0.0347(8) 0.3260(4) 0.0301(17) Uani 1 1 d . . .
H34 H 0.4723 0.0682 0.3019 0.036 Uiso 1 1 calc R . .
C35 C 0.5877(5) 0.0386(8) 0.2952(4) 0.0307(18) Uani 1 1 d . . .
H35 H 0.5906 0.0702 0.2482 0.037 Uiso 1 1 calc R . .
C36 C 0.6563(4) -0.0043(8) 0.3326(4) 0.0265(15) Uani 1 1 d . . .
H36 H 0.7057 0.0004 0.3112 0.032 Uiso 1 1 calc R . .
C41 C 0.7708(4) -0.2510(6) 0.4097(3) 0.0167(12) Uani 1 1 d . . .
C42 C 0.7238(4) -0.3117(7) 0.3581(4) 0.0260(15) Uani 1 1 d . . .
H42 H 0.6772 -0.2729 0.3387 0.031 Uiso 1 1 calc R . .
C43 C 0.7464(5) -0.4313(7) 0.3351(5) 0.0318(17) Uani 1 1 d . . .
H43 H 0.7149 -0.4740 0.2997 0.038 Uiso 1 1 calc R . .
C44 C 0.8144(5) -0.4876(8) 0.3635(4) 0.0304(16) Uani 1 1 d . . .
H44 H 0.8285 -0.5697 0.3486 0.037 Uiso 1 1 calc R . .
C45 C 0.8617(4) -0.4245(7) 0.4136(4) 0.0249(15) Uani 1 1 d . . .
H45 H 0.9083 -0.4634 0.4329 0.030 Uiso 1 1 calc R . .
C46 C 0.8416(4) -0.3062(7) 0.4356(3) 0.0215(14) Uani 1 1 d . . .
H46 H 0.8755 -0.2616 0.4684 0.026 Uiso 1 1 calc R . .
C51 C 0.7412(4) 0.0623(6) 0.6016(4) 0.0175(14) Uani 1 1 d . . .
C52 C 0.7372(4) 0.1279(7) 0.6658(4) 0.0237(14) Uani 1 1 d . . .
H52 H 0.7512 0.2146 0.6674 0.028 Uiso 1 1 calc R . .
C53 C 0.7130(4) 0.0696(7) 0.7278(4) 0.0243(15) Uani 1 1 d . . .
H53 H 0.7104 0.1165 0.7705 0.029 Uiso 1 1 calc R . .
C54 C 0.6934(4) -0.0528(7) 0.7263(4) 0.0249(17) Uani 1 1 d . . .
H54 H 0.6793 -0.0930 0.7689 0.030 Uiso 1 1 calc R . .
C55 C 0.6934(4) -0.1230(7) 0.6629(3) 0.0186(13) Uani 1 1 d . . .
C56 C 0.7187(4) -0.0665(6) 0.5983(4) 0.0184(13) Uani 1 1 d . . .
C57 C 0.7144(4) -0.1466(6) 0.5358(3) 0.0171(12) Uani 1 1 d . . .
C58 C 0.6875(4) -0.2682(7) 0.5405(4) 0.0244(15) Uani 1 1 d . . .
H58 H 0.6855 -0.3190 0.4989 0.029 Uiso 1 1 calc R . .
C59 C 0.6629(4) -0.3205(7) 0.6038(4) 0.0237(14) Uani 1 1 d . . .
H59 H 0.6445 -0.4051 0.6047 0.028 Uiso 1 1 calc R . .
C60 C 0.6653(4) -0.2500(7) 0.6640(4) 0.0252(14) Uani 1 1 d . . .
H60 H 0.6483 -0.2852 0.7070 0.030 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.0134(2) 0.0177(2) 0.0139(2) 0.00046(8) 0.00250(12) 0.00070(8)
Te1 0.0217(3) 0.0237(3) 0.0289(3) -0.00545(18) 0.01028(19) -0.00459(16)
Te2 0.0196(3) 0.0237(3) 0.0179(3) -0.00209(16) 0.00522(19) 0.00014(15)
P1 0.0146(7) 0.0183(8) 0.0161(8) 0.0006(6) 0.0027(6) 0.0017(6)
P2 0.0151(7) 0.0179(8) 0.0151(8) -0.0005(6) 0.0022(6) -0.0018(6)
O1 0.081(5) 0.065(5) 0.066(5) 0.016(4) 0.058(5) 0.015(4)
C1 0.017(3) 0.030(4) 0.033(4) -0.003(3) 0.008(3) 0.000(3)
C2 0.023(3) 0.021(3) 0.029(4) 0.000(3) 0.013(3) 0.002(3)
C3 0.030(4) 0.027(4) 0.018(3) 0.006(3) 0.005(3) 0.006(3)
C4 0.053(5) 0.024(4) 0.046(5) 0.008(4) 0.023(4) -0.001(4)
C5 0.035(4) 0.041(5) 0.030(4) 0.000(3) 0.010(4) 0.011(3)
C11 0.019(3) 0.020(3) 0.017(3) -0.004(2) 0.005(2) 0.001(2)
C12 0.016(3) 0.025(3) 0.019(3) -0.005(3) 0.004(2) -0.004(3)
C13 0.017(3) 0.028(4) 0.025(3) -0.002(3) 0.005(3) 0.000(3)
C14 0.026(4) 0.030(4) 0.022(3) -0.013(3) 0.009(3) -0.013(3)
C15 0.038(4) 0.017(4) 0.019(3) 0.002(3) 0.005(3) -0.001(3)
C16 0.024(3) 0.023(4) 0.017(3) 0.002(3) -0.003(3) -0.006(3)
C21 0.018(3) 0.014(3) 0.027(3) 0.001(3) 0.002(3) 0.001(2)
C22 0.024(4) 0.037(5) 0.037(4) -0.004(3) 0.001(3) 0.009(3)
C23 0.025(4) 0.046(5) 0.063(6) 0.005(4) 0.005(4) 0.015(4)
C24 0.027(4) 0.036(5) 0.063(6) 0.003(4) -0.009(4) 0.009(3)
C25 0.039(5) 0.040(5) 0.039(4) 0.014(4) -0.010(4) 0.011(4)
C26 0.030(4) 0.034(4) 0.028(4) 0.002(3) 0.001(3) 0.000(3)
C31 0.020(3) 0.030(4) 0.015(3) -0.004(3) -0.001(3) -0.001(2)
C32 0.021(4) 0.037(4) 0.023(4) -0.002(3) 0.003(3) -0.002(3)
C33 0.017(3) 0.042(5) 0.047(5) 0.001(4) 0.007(3) 0.002(3)
C34 0.027(4) 0.036(4) 0.027(4) -0.009(3) -0.006(3) 0.006(3)
C35 0.025(4) 0.047(5) 0.019(4) 0.006(3) -0.010(3) 0.008(3)
C36 0.016(3) 0.045(5) 0.019(3) 0.004(3) 0.002(3) 0.005(3)
C41 0.018(3) 0.016(3) 0.017(3) 0.000(2) 0.002(2) 0.000(2)
C42 0.023(3) 0.029(4) 0.025(4) -0.002(3) -0.003(3) -0.003(3)
C43 0.036(4) 0.026(4) 0.033(4) -0.008(3) -0.002(3) -0.010(3)
C44 0.035(4) 0.022(4) 0.036(4) -0.005(3) 0.009(3) 0.004(3)
C45 0.030(4) 0.020(3) 0.026(4) 0.003(3) 0.010(3) 0.008(3)
C46 0.024(3) 0.023(4) 0.018(3) -0.002(3) 0.001(3) -0.001(3)
C51 0.018(3) 0.018(3) 0.017(3) 0.005(2) 0.010(3) 0.006(2)
C52 0.016(3) 0.029(4) 0.026(4) 0.000(3) 0.003(3) -0.003(3)
C53 0.024(3) 0.029(4) 0.020(3) -0.004(3) 0.003(3) -0.001(3)
C54 0.021(4) 0.038(5) 0.016(3) 0.008(3) 0.001(3) -0.002(3)
C55 0.013(3) 0.027(4) 0.016(3) 0.005(3) 0.006(2) 0.002(2)
C56 0.014(3) 0.026(4) 0.015(3) 0.006(3) 0.003(2) 0.001(2)
C57 0.017(3) 0.018(3) 0.017(3) 0.001(2) 0.001(2) -0.005(2)
C58 0.026(3) 0.021(4) 0.026(4) -0.001(3) 0.005(3) -0.001(3)
C59 0.023(3) 0.018(3) 0.031(4) 0.003(3) 0.004(3) 0.000(3)
C60 0.024(3) 0.028(4) 0.024(3) 0.005(3) 0.007(3) 0.000(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
Pt1 P2 2.2493(17) . ?
Pt1 P1 2.2589(17) . ?
Pt1 Te1 2.6231(6) . ?
Pt1 Te2 2.6304(7) . ?
Te1 C1 2.180(7) . ?
Te2 C3 2.172(7) . ?
P1 C21 1.829(7) . ?
P1 C11 1.833(7) . ?
P1 C51 1.847(7) . ?
P2 C41 1.826(7) . ?
P2 C31 1.827(7) . ?
P2 C57 1.843(6) . ?
O1 C5 1.432(11) . ?
O1 C4 1.443(11) . ?
C1 C2 1.525(10) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.501(10) . ?
C2 C4 1.556(10) . ?
C2 C5 1.560(10) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C11 C12 1.385(10) . ?
C11 C16 1.394(10) . ?
C12 C13 1.384(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.392(11) . ?
C13 H13 0.9500 . ?
C14 C15 1.385(11) . ?
C14 H14 0.9500 . ?
C15 C16 1.425(10) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C22 1.394(10) . ?
C21 C26 1.400(10) . ?
C22 C23 1.405(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.412(14) . ?
C23 H23 0.9500 . ?
C24 C25 1.351(13) . ?
C24 H24 0.9500 . ?
C25 C26 1.393(11) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C36 1.387(10) . ?
C31 C32 1.389(11) . ?
C32 C33 1.385(11) . ?
C32 H32 0.9500 . ?
C33 C34 1.377(12) . ?
C33 H33 0.9500 . ?
C34 C35 1.345(12) . ?
C34 H34 0.9500 . ?
C35 C36 1.410(10) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C42 1.387(9) . ?
C41 C46 1.405(9) . ?
C42 C43 1.400(11) . ?
C42 H42 0.9500 . ?
C43 C44 1.385(12) . ?
C43 H43 0.9500 . ?
C44 C45 1.384(12) . ?
C44 H44 0.9500 . ?
C45 C46 1.370(10) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 C52 1.402(10) . ?
C51 C56 1.420(9) . ?
C52 C53 1.401(10) . ?
C52 H52 0.9500 . ?
C53 C54 1.341(10) . ?
C53 H53 0.9500 . ?
C54 C55 1.408(10) . ?
C54 H54 0.9500 . ?
C55 C60 1.430(10) . ?
C55 C56 1.442(9) . ?
C56 C57 1.452(9) . ?
C57 C58 1.374(10) . ?
C58 C59 1.399(10) . ?
C58 H58 0.9500 . ?
C59 C60 1.359(10) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?

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
P2 Pt1 P1 88.35(6) . . ?
P2 Pt1 Te1 178.92(4) . . ?
P1 Pt1 Te1 92.44(5) . . ?
P2 Pt1 Te2 88.56(5) . . ?
P1 Pt1 Te2 171.17(4) . . ?
Te1 Pt1 Te2 90.77(3) . . ?
C1 Te1 Pt1 104.5(2) . . ?
C3 Te2 Pt1 101.5(2) . . ?
C21 P1 C11 104.2(3) . . ?
C21 P1 C51 103.6(3) . . ?
C11 P1 C51 103.5(3) . . ?
C21 P1 Pt1 111.8(2) . . ?
C11 P1 Pt1 115.9(2) . . ?
C51 P1 Pt1 116.3(2) . . ?
C41 P2 C31 105.5(3) . . ?
C41 P2 C57 101.1(3) . . ?
C31 P2 C57 103.9(3) . . ?
C41 P2 Pt1 114.7(2) . . ?
C31 P2 Pt1 113.0(2) . . ?
C57 P2 Pt1 117.2(2) . . ?
C5 O1 C4 92.4(6) . . ?
C2 C1 Te1 116.8(5) . . ?
C2 C1 H1A 108.1 . . ?
Te1 C1 H1A 108.1 . . ?
C2 C1 H1B 108.1 . . ?
Te1 C1 H1B 108.1 . . ?
H1A C1 H1B 107.3 . . ?
C3 C2 C1 114.6(6) . . ?
C3 C2 C4 112.2(7) . . ?
C1 C2 C4 117.0(7) . . ?
C3 C2 C5 113.9(7) . . ?
C1 C2 C5 111.9(6) . . ?
C4 C2 C5 83.6(6) . . ?
C2 C3 Te2 114.4(5) . . ?
C2 C3 H3A 108.7 . . ?
Te2 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
Te2 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
O1 C4 C2 91.6(6) . . ?
O1 C4 H4A 113.4 . . ?
C2 C4 H4A 113.4 . . ?
O1 C4 H4B 113.4 . . ?
C2 C4 H4B 113.4 . . ?
H4A C4 H4B 110.7 . . ?
O1 C5 C2 91.8(6) . . ?
O1 C5 H5A 113.3 . . ?
C2 C5 H5A 113.3 . . ?
O1 C5 H5B 113.3 . . ?
C2 C5 H5B 113.3 . . ?
H5A C5 H5B 110.7 . . ?
C12 C11 C16 119.6(6) . . ?
C12 C11 P1 118.6(5) . . ?
C16 C11 P1 121.5(5) . . ?
C13 C12 C11 121.0(7) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C12 C13 C14 120.0(7) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.3(6) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C16 119.4(7) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C11 C16 C15 119.6(6) . . ?
C11 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C22 C21 C26 120.4(7) . . ?
C22 C21 P1 121.2(6) . . ?
C26 C21 P1 118.4(5) . . ?
C21 C22 C23 120.0(8) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 118.8(8) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C25 C24 C23 120.0(8) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 C26 122.4(8) . . ?
C24 C25 H25 118.8 . . ?
C26 C25 H25 118.8 . . ?
C25 C26 C21 118.4(8) . . ?
C25 C26 H26 120.8 . . ?
C21 C26 H26 120.8 . . ?
C36 C31 C32 118.5(7) . . ?
C36 C31 P2 117.6(5) . . ?
C32 C31 P2 123.8(6) . . ?
C33 C32 C31 120.1(7) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C34 C33 C32 120.6(7) . . ?
C34 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
C35 C34 C33 120.4(7) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 119.9(7) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C31 C36 C35 120.4(7) . . ?
C31 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C42 C41 C46 120.4(6) . . ?
C42 C41 P2 122.6(5) . . ?
C46 C41 P2 117.0(5) . . ?
C41 C42 C43 118.7(7) . . ?
C41 C42 H42 120.6 . . ?
C43 C42 H42 120.6 . . ?
C44 C43 C42 120.5(7) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C45 C44 C43 120.1(7) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C46 C45 C44 120.4(7) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C45 C46 C41 119.8(6) . . ?
C45 C46 H46 120.1 . . ?
C41 C46 H46 120.1 . . ?
C52 C51 C56 119.4(6) . . ?
C52 C51 P1 114.6(5) . . ?
C56 C51 P1 125.9(5) . . ?
C53 C52 C51 122.0(7) . . ?
C53 C52 H52 119.0 . . ?
C51 C52 H52 119.0 . . ?
C54 C53 C52 119.5(7) . . ?
C54 C53 H53 120.2 . . ?
C52 C53 H53 120.2 . . ?
C53 C54 C55 121.3(7) . . ?
C53 C54 H54 119.3 . . ?
C55 C54 H54 119.3 . . ?
C54 C55 C60 118.3(6) . . ?
C54 C55 C56 120.6(6) . . ?
C60 C55 C56 121.1(6) . . ?
C51 C56 C55 117.0(6) . . ?
C51 C56 C57 127.0(6) . . ?
C55 C56 C57 115.9(6) . . ?
C58 C57 C56 120.1(6) . . ?
C58 C57 P2 115.1(5) . . ?
C56 C57 P2 124.8(5) . . ?
C57 C58 C59 122.8(7) . . ?
C57 C58 H58 118.6 . . ?
C59 C58 H58 118.6 . . ?
C60 C59 C58 119.7(7) . . ?
C60 C59 H59 120.1 . . ?
C58 C59 H59 120.1 . . ?
C59 C60 C55 120.3(6) . . ?
C59 C60 H60 119.8 . . ?
C55 C60 H60 119.8 . . ?

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
P2 Pt1 Te1 C1 32(2) . . . . ?
P1 Pt1 Te1 C1 168.5(2) . . . . ?
Te2 Pt1 Te1 C1 -19.7(2) . . . . ?
P2 Pt1 Te2 C3 149.3(2) . . . . ?
P1 Pt1 Te2 C3 79.8(3) . . . . ?
Te1 Pt1 Te2 C3 -31.5(2) . . . . ?
P2 Pt1 P1 C21 -75.8(2) . . . . ?
Te1 Pt1 P1 C21 104.9(2) . . . . ?
Te2 Pt1 P1 C21 -6.2(4) . . . . ?
P2 Pt1 P1 C11 165.0(2) . . . . ?
Te1 Pt1 P1 C11 -14.3(2) . . . . ?
Te2 Pt1 P1 C11 -125.5(3) . . . . ?
P2 Pt1 P1 C51 43.0(3) . . . . ?
Te1 Pt1 P1 C51 -136.3(3) . . . . ?
Te2 Pt1 P1 C51 112.5(4) . . . . ?
P1 Pt1 P2 C41 -161.4(2) . . . . ?
Te1 Pt1 P2 C41 -24(2) . . . . ?
Te2 Pt1 P2 C41 26.9(2) . . . . ?
P1 Pt1 P2 C31 77.6(3) . . . . ?
Te1 Pt1 P2 C31 -145(2) . . . . ?
Te2 Pt1 P2 C31 -94.1(3) . . . . ?
P1 Pt1 P2 C57 -43.1(2) . . . . ?
Te1 Pt1 P2 C57 94(2) . . . . ?
Te2 Pt1 P2 C57 145.2(2) . . . . ?
Pt1 Te1 C1 C2 75.9(5) . . . . ?
Te1 C1 C2 C3 -41.5(8) . . . . ?
Te1 C1 C2 C4 92.9(7) . . . . ?
Te1 C1 C2 C5 -173.1(5) . . . . ?
C1 C2 C3 Te2 -45.3(8) . . . . ?
C4 C2 C3 Te2 178.1(5) . . . . ?
C5 C2 C3 Te2 85.4(7) . . . . ?
Pt1 Te2 C3 C2 86.2(5) . . . . ?
C5 O1 C4 C2 -6.3(8) . . . . ?
C3 C2 C4 O1 -107.4(8) . . . . ?
C1 C2 C4 O1 117.1(7) . . . . ?
C5 C2 C4 O1 5.8(7) . . . . ?
C4 O1 C5 C2 6.3(8) . . . . ?
C3 C2 C5 O1 105.6(8) . . . . ?
C1 C2 C5 O1 -122.4(7) . . . . ?
C4 C2 C5 O1 -5.9(7) . . . . ?
C21 P1 C11 C12 174.8(5) . . . . ?
C51 P1 C11 C12 66.7(6) . . . . ?
Pt1 P1 C11 C12 -61.9(6) . . . . ?
C21 P1 C11 C16 -11.1(6) . . . . ?
C51 P1 C11 C16 -119.2(6) . . . . ?
Pt1 P1 C11 C16 112.2(5) . . . . ?
C16 C11 C12 C13 1.7(10) . . . . ?
P1 C11 C12 C13 175.9(5) . . . . ?
C11 C12 C13 C14 -3.0(10) . . . . ?
C12 C13 C14 C15 1.7(10) . . . . ?
C13 C14 C15 C16 0.8(10) . . . . ?
C12 C11 C16 C15 0.9(10) . . . . ?
P1 C11 C16 C15 -173.2(5) . . . . ?
C14 C15 C16 C11 -2.1(10) . . . . ?
C11 P1 C21 C22 -76.3(6) . . . . ?
C51 P1 C21 C22 31.7(7) . . . . ?
Pt1 P1 C21 C22 157.7(5) . . . . ?
C11 P1 C21 C26 101.7(6) . . . . ?
C51 P1 C21 C26 -150.3(6) . . . . ?
Pt1 P1 C21 C26 -24.3(6) . . . . ?
C26 C21 C22 C23 0.0(12) . . . . ?
P1 C21 C22 C23 177.9(7) . . . . ?
C21 C22 C23 C24 0.1(14) . . . . ?
C22 C23 C24 C25 0.1(14) . . . . ?
C23 C24 C25 C26 -0.3(15) . . . . ?
C24 C25 C26 C21 0.4(14) . . . . ?
C22 C21 C26 C25 -0.2(11) . . . . ?
P1 C21 C26 C25 -178.1(6) . . . . ?
C41 P2 C31 C36 -78.3(6) . . . . ?
C57 P2 C31 C36 175.8(6) . . . . ?
Pt1 P2 C31 C36 47.9(6) . . . . ?
C41 P2 C31 C32 103.6(6) . . . . ?
C57 P2 C31 C32 -2.3(7) . . . . ?
Pt1 P2 C31 C32 -130.3(6) . . . . ?
C36 C31 C32 C33 -2.3(11) . . . . ?
P2 C31 C32 C33 175.8(6) . . . . ?
C31 C32 C33 C34 0.2(13) . . . . ?
C32 C33 C34 C35 2.9(13) . . . . ?
C33 C34 C35 C36 -3.7(13) . . . . ?
C32 C31 C36 C35 1.5(12) . . . . ?
P2 C31 C36 C35 -176.7(6) . . . . ?
C34 C35 C36 C31 1.5(13) . . . . ?
C31 P2 C41 C42 -1.8(7) . . . . ?
C57 P2 C41 C42 106.1(6) . . . . ?
Pt1 P2 C41 C42 -126.9(5) . . . . ?
C31 P2 C41 C46 178.5(5) . . . . ?
C57 P2 C41 C46 -73.6(6) . . . . ?
Pt1 P2 C41 C46 53.4(6) . . . . ?
C46 C41 C42 C43 3.1(10) . . . . ?
P2 C41 C42 C43 -176.6(6) . . . . ?
C41 C42 C43 C44 0.1(12) . . . . ?
C42 C43 C44 C45 -1.7(12) . . . . ?
C43 C44 C45 C46 0.1(12) . . . . ?
C44 C45 C46 C41 3.0(11) . . . . ?
C42 C41 C46 C45 -4.6(10) . . . . ?
P2 C41 C46 C45 175.1(5) . . . . ?
C21 P1 C51 C52 -84.8(6) . . . . ?
C11 P1 C51 C52 23.8(6) . . . . ?
Pt1 P1 C51 C52 152.1(4) . . . . ?
C21 P1 C51 C56 95.2(6) . . . . ?
C11 P1 C51 C56 -156.2(6) . . . . ?
Pt1 P1 C51 C56 -27.9(7) . . . . ?
C56 C51 C52 C53 1.3(10) . . . . ?
P1 C51 C52 C53 -178.7(5) . . . . ?
C51 C52 C53 C54 0.4(11) . . . . ?
C52 C53 C54 C55 -2.8(11) . . . . ?
C53 C54 C55 C60 -174.6(7) . . . . ?
C53 C54 C55 C56 3.4(11) . . . . ?
C52 C51 C56 C55 -0.7(9) . . . . ?
P1 C51 C56 C55 179.3(5) . . . . ?
C52 C51 C56 C57 175.8(6) . . . . ?
P1 C51 C56 C57 -4.2(10) . . . . ?
C54 C55 C56 C51 -1.6(9) . . . . ?
C60 C55 C56 C51 176.4(6) . . . . ?
C54 C55 C56 C57 -178.5(6) . . . . ?
C60 C55 C56 C57 -0.5(9) . . . . ?
C51 C56 C57 C58 -176.6(7) . . . . ?
C55 C56 C57 C58 -0.1(9) . . . . ?
C51 C56 C57 P2 4.6(10) . . . . ?
C55 C56 C57 P2 -178.9(5) . . . . ?
C41 P2 C57 C58 -26.0(6) . . . . ?
C31 P2 C57 C58 83.3(6) . . . . ?
Pt1 P2 C57 C58 -151.4(4) . . . . ?
C41 P2 C57 C56 152.9(5) . . . . ?
C31 P2 C57 C56 -97.8(6) . . . . ?
Pt1 P2 C57 C56 27.5(6) . . . . ?
C56 C57 C58 C59 0.4(10) . . . . ?
P2 C57 C58 C59 179.4(5) . . . . ?
C57 C58 C59 C60 -0.2(11) . . . . ?
C58 C59 C60 C55 -0.4(10) . . . . ?
C54 C55 C60 C59 178.8(7) . . . . ?
C56 C55 C60 C59 0.7(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         2.023
_refine_diff_density_min         -2.383
_refine_diff_density_rms         0.463