#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:24:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179244 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/64/4316448.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4316448
loop_
_publ_author_name
'Norio Nakata'
'Takashige Ikeda'
'Akihiko Ishii'
_publ_section_title
;
 Syntheses of Selenolato-Bridged Dinuclear Hydridoplatinum Complexes
 [Pt2H2(μ-SetBu)2(PPh3)2] and [Pt2H(SetBu)(μ-SetBu)2(PPh3)2]: Unusual
 Thermal Reaction of Hydrido(1,1-Dimethylethaneselenolato) Platinum
 Complex cis-[PtH(SetBu)(PPh3)2]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8112
_journal_page_last               8116
_journal_paper_doi               10.1021/ic1011742
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C48 H58 P2 Pt2 Se3'
_chemical_formula_sum            'C48 H58 P2 Pt2 Se3'
_chemical_formula_weight         1323.94
_chemical_name_common            '[Pt2H(SetBu)(SetBu)2(PPh3)2]'
_chemical_name_systematic
; 
 [Pt2H(SetBu)(SetBu)2(PPh3)2] 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.2250(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5887(4)
_cell_length_b                   19.0090(8)
_cell_length_c                   23.1157(10)
_cell_measurement_temperature    103(2)
_cell_volume                     4652.7(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            29160
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    8.454
_exptl_absorpt_correction_T_max  0.3636
_exptl_absorpt_correction_T_min  0.2826
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.890
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2536
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.345
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     648
_refine_ls_number_reflns         9136
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0324P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0690
_reflns_number_gt                7628
_reflns_number_total             9136
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1011742_si_004.cif
_cod_data_source_block           compound3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4316448
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'
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 0.038333(17) 0.726183(10) 0.675426(8) 0.02057(6) Uani 1 1 d D . .
H1 H 0.178(2) 0.722(3) 0.702(2) 0.058(19) Uiso 1 1 d D . .
Se1 Se -0.0813(6) 0.7593(2) 0.7634(2) 0.0196(6) Uani 0.542(15) 1 d P A 1
C1 C 0.0512(14) 0.7832(8) 0.8231(6) 0.029(3) Uani 0.542(15) 1 d P A 1
C2 C 0.1442(14) 0.8375(9) 0.7997(7) 0.031(4) Uani 0.542(15) 1 d P A 1
H2 H 0.1859 0.8187 0.7653 0.047 Uiso 0.542(15) 1 calc PR A 1
H3 H 0.2077 0.8482 0.8294 0.047 Uiso 0.542(15) 1 calc PR A 1
H4 H 0.0985 0.8807 0.7895 0.047 Uiso 0.542(15) 1 calc PR A 1
C3 C -0.0187(14) 0.8103(7) 0.8767(4) 0.033(3) Uani 0.542(15) 1 d P A 1
H5 H -0.0777 0.7742 0.8903 0.049 Uiso 0.542(15) 1 calc PR A 1
H6 H -0.0656 0.8531 0.8667 0.049 Uiso 0.542(15) 1 calc PR A 1
H7 H 0.0425 0.8209 0.9074 0.049 Uiso 0.542(15) 1 calc PR A 1
C4 C 0.1139(12) 0.7129(6) 0.8388(5) 0.037(3) Uani 0.542(15) 1 d P A 1
H8 H 0.1594 0.6947 0.8051 0.055 Uiso 0.542(15) 1 calc PR A 1
H9 H 0.0490 0.6791 0.8504 0.055 Uiso 0.542(15) 1 calc PR A 1
H10 H 0.1734 0.7201 0.8708 0.055 Uiso 0.542(15) 1 calc PR A 1
Pt2 Pt -0.164762(16) 0.860657(10) 0.711228(8) 0.02049(6) Uani 1 1 d . . .
Se2 Se -0.16076(4) 0.77335(2) 0.63204(2) 0.02127(11) Uani 1 1 d . A .
C5 C -0.2490(10) 0.6329(6) 0.6487(8) 0.068(5) Uani 0.589(11) 1 d P A 1
H11 H -0.2013 0.6238 0.6132 0.101 Uiso 0.589(11) 1 calc PR A 1
H12 H -0.3168 0.5982 0.6523 0.101 Uiso 0.589(11) 1 calc PR A 1
H13 H -0.1923 0.6294 0.6821 0.101 Uiso 0.589(11) 1 calc PR A 1
C6 C -0.3043(5) 0.7046(3) 0.6461(3) 0.0389(15) Uani 1 1 d . . .
C7 C -0.3796(10) 0.7232(6) 0.6942(6) 0.049(4) Uani 0.589(11) 1 d P A 1
H14 H -0.3294 0.7192 0.7298 0.074 Uiso 0.589(11) 1 calc PR A 1
H15 H -0.4524 0.6914 0.6965 0.074 Uiso 0.589(11) 1 calc PR A 1
H16 H -0.4094 0.7717 0.6898 0.074 Uiso 0.589(11) 1 calc PR A 1
C8 C -0.3846(11) 0.7151(8) 0.5874(5) 0.069(5) Uani 0.589(11) 1 d P A 1
H17 H -0.3310 0.7049 0.5540 0.104 Uiso 0.589(11) 1 calc PR A 1
H18 H -0.4147 0.7638 0.5851 0.104 Uiso 0.589(11) 1 calc PR A 1
H19 H -0.4571 0.6831 0.5874 0.104 Uiso 0.589(11) 1 calc PR A 1
Se3 Se -0.18231(5) 0.94433(3) 0.79249(2) 0.02956(13) Uani 1 1 d . A .
C9 C -0.3185(17) 0.8977(9) 0.8475(8) 0.023(4) Uani 0.525(9) 1 d P A 1
C10 C -0.2606(11) 0.8396(6) 0.8880(5) 0.040(3) Uani 0.525(9) 1 d P A 1
H20 H -0.2326 0.7996 0.8645 0.059 Uiso 0.525(9) 1 calc PR A 1
H21 H -0.3247 0.8238 0.9155 0.059 Uiso 0.525(9) 1 calc PR A 1
H22 H -0.1883 0.8592 0.9091 0.059 Uiso 0.525(9) 1 calc PR A 1
C11 C -0.3639(14) 0.9564(7) 0.8841(6) 0.045(4) Uani 0.525(9) 1 d P A 1
H23 H -0.2930 0.9760 0.9062 0.068 Uiso 0.525(9) 1 calc PR A 1
H24 H -0.4283 0.9390 0.9108 0.068 Uiso 0.525(9) 1 calc PR A 1
H25 H -0.4006 0.9932 0.8594 0.068 Uiso 0.525(9) 1 calc PR A 1
C12 C -0.4204(13) 0.8639(8) 0.8116(6) 0.038(3) Uani 0.525(9) 1 d P A 1
H26 H -0.3840 0.8257 0.7886 0.057 Uiso 0.525(9) 1 calc PR A 1
H27 H -0.4578 0.8991 0.7857 0.057 Uiso 0.525(9) 1 calc PR A 1
H28 H -0.4858 0.8449 0.8370 0.057 Uiso 0.525(9) 1 calc PR A 1
P1 P 0.13470(11) 0.69563(7) 0.59448(6) 0.0214(3) Uani 1 1 d . A .
C13 C 0.2487(4) 0.6237(2) 0.5972(2) 0.0242(11) Uani 1 1 d . . .
C14 C 0.3073(5) 0.6039(3) 0.6483(2) 0.0320(13) Uani 1 1 d . A .
H29 H 0.2856 0.6267 0.6835 0.038 Uiso 1 1 calc R . .
C15 C 0.3974(5) 0.5509(3) 0.6486(3) 0.0374(14) Uani 1 1 d . . .
H30 H 0.4383 0.5386 0.6838 0.045 Uiso 1 1 calc R A .
C16 C 0.4281(5) 0.5161(3) 0.5986(3) 0.0370(14) Uani 1 1 d . A .
H31 H 0.4894 0.4797 0.5992 0.044 Uiso 1 1 calc R . .
C17 C 0.3702(5) 0.5342(3) 0.5482(3) 0.0336(13) Uani 1 1 d . . .
H32 H 0.3908 0.5097 0.5137 0.040 Uiso 1 1 calc R A .
C18 C 0.2814(5) 0.5879(3) 0.5465(2) 0.0311(12) Uani 1 1 d . A .
H33 H 0.2427 0.6004 0.5108 0.037 Uiso 1 1 calc R . .
C19 C 0.2197(4) 0.7691(3) 0.5617(2) 0.0263(12) Uani 1 1 d . . .
C20 C 0.3150(5) 0.7611(3) 0.5217(2) 0.0366(14) Uani 1 1 d . A .
H34 H 0.3426 0.7152 0.5115 0.044 Uiso 1 1 calc R . .
C21 C 0.3704(6) 0.8187(3) 0.4966(3) 0.0449(16) Uani 1 1 d . . .
H35 H 0.4360 0.8123 0.4691 0.054 Uiso 1 1 calc R A .
C22 C 0.3321(5) 0.8854(3) 0.5105(2) 0.0363(14) Uani 1 1 d . A .
H36 H 0.3692 0.9250 0.4921 0.044 Uiso 1 1 calc R . .
C23 C 0.2400(5) 0.8948(3) 0.5513(3) 0.0472(17) Uani 1 1 d . . .
H37 H 0.2140 0.9409 0.5618 0.057 Uiso 1 1 calc R A .
C24 C 0.1850(5) 0.8368(3) 0.5770(3) 0.0459(17) Uani 1 1 d . A .
H38 H 0.1223 0.8436 0.6058 0.055 Uiso 1 1 calc R . .
C25 C 0.0271(5) 0.6684(3) 0.5366(2) 0.0230(11) Uani 1 1 d . . .
C26 C -0.0173(5) 0.5994(3) 0.5359(2) 0.0298(12) Uani 1 1 d . A .
H39 H 0.0137 0.5662 0.5633 0.036 Uiso 1 1 calc R . .
C27 C -0.1066(5) 0.5792(3) 0.4952(2) 0.0357(13) Uani 1 1 d . . .
H40 H -0.1359 0.5320 0.4946 0.043 Uiso 1 1 calc R A .
C28 C -0.1537(6) 0.6268(3) 0.4555(2) 0.0435(16) Uani 1 1 d . A .
H41 H -0.2136 0.6125 0.4272 0.052 Uiso 1 1 calc R . .
C29 C -0.1125(6) 0.6951(3) 0.4577(2) 0.0429(15) Uani 1 1 d . . .
H42 H -0.1462 0.7285 0.4312 0.051 Uiso 1 1 calc R A .
C30 C -0.0227(5) 0.7163(3) 0.4977(2) 0.0306(12) Uani 1 1 d . A .
H43 H 0.0048 0.7638 0.4984 0.037 Uiso 1 1 calc R . .
P2 P -0.23913(13) 0.94888(7) 0.65695(7) 0.0319(3) Uani 1 1 d . A .
C31 C -0.2356(6) 0.9350(3) 0.5782(3) 0.0364(14) Uani 1 1 d . . .
C32 C -0.1171(6) 0.9286(3) 0.5534(3) 0.0395(15) Uani 1 1 d . A .
H44 H -0.0442 0.9324 0.5773 0.047 Uiso 1 1 calc R . .
C33 C -0.1023(6) 0.9170(3) 0.4949(3) 0.0400(14) Uani 1 1 d . . .
H45 H -0.0203 0.9140 0.4786 0.048 Uiso 1 1 calc R A .
C34 C -0.2082(6) 0.9098(3) 0.4601(3) 0.0464(16) Uani 1 1 d . A .
H46 H -0.1990 0.9001 0.4200 0.056 Uiso 1 1 calc R . .
C35 C -0.3262(6) 0.9167(3) 0.4834(3) 0.0498(17) Uani 1 1 d . . .
H47 H -0.3988 0.9127 0.4593 0.060 Uiso 1 1 calc R A .
C36 C -0.3400(6) 0.9294(3) 0.5422(3) 0.0401(15) Uani 1 1 d . A .
H48 H -0.4222 0.9342 0.5579 0.048 Uiso 1 1 calc R . .
C37 C -0.1475(6) 1.0302(3) 0.6604(3) 0.0387(14) Uani 1 1 d . . .
C38 C -0.0319(6) 1.0333(3) 0.6886(2) 0.0409(15) Uani 1 1 d . A .
H49 H -0.0001 0.9928 0.7077 0.049 Uiso 1 1 calc R . .
C39 C 0.0372(7) 1.0947(4) 0.6890(3) 0.057(2) Uani 1 1 d . . .
H50 H 0.1155 1.0964 0.7092 0.068 Uiso 1 1 calc R A .
C40 C -0.0060(8) 1.1534(3) 0.6606(3) 0.066(2) Uani 1 1 d . A .
H51 H 0.0419 1.1956 0.6617 0.080 Uiso 1 1 calc R . .
C41 C -0.1172(9) 1.1513(3) 0.6309(3) 0.069(2) Uani 1 1 d . . .
H52 H -0.1460 1.1916 0.6104 0.083 Uiso 1 1 calc R A .
C42 C -0.1890(7) 1.0895(3) 0.6308(3) 0.057(2) Uani 1 1 d . A .
H53 H -0.2669 1.0880 0.6103 0.068 Uiso 1 1 calc R . .
C43 C -0.4014(5) 0.9741(3) 0.6741(3) 0.0485(18) Uani 1 1 d . . .
C44 C -0.4961(6) 0.9255(3) 0.6651(3) 0.0493(17) Uani 1 1 d . A .
H54 H -0.4829 0.8862 0.6405 0.059 Uiso 0.481(16) 1 calc PR B 1
H55 H -0.4742 0.8789 0.6541 0.059 Uiso 0.519(16) 1 calc PR B 2
C45 C -0.6273(16) 0.9363(12) 0.6965(7) 0.036(4) Uani 0.481(16) 1 d P A 1
H56 H -0.6920 0.9022 0.6914 0.043 Uiso 0.481(16) 1 calc PR B 1
C46 C -0.6486(11) 0.9910(8) 0.7295(8) 0.040(4) Uani 0.481(16) 1 d P A 1
H57 H -0.7309 0.9986 0.7445 0.048 Uiso 0.481(16) 1 calc PR B 1
C47 C -0.5535(11) 1.0377(7) 0.7427(7) 0.038(4) Uani 0.481(16) 1 d P A 1
H58 H -0.5678 1.0759 0.7683 0.045 Uiso 0.481(16) 1 calc PR B 1
C48 C -0.4366(12) 1.0276(7) 0.7177(7) 0.029(3) Uani 0.481(16) 1 d P A 1
H59 H -0.3713 1.0585 0.7299 0.034 Uiso 0.481(16) 1 calc PR B 1
C49 C 0.1093(18) 0.8021(12) 0.8131(8) 0.031(5) Uani 0.458(15) 1 d P A 2
C50 C 0.1669(18) 0.8630(11) 0.7793(9) 0.047(5) Uani 0.458(15) 1 d P A 2
H60 H 0.1048 0.9009 0.7757 0.070 Uiso 0.458(15) 1 calc PR A 2
H61 H 0.1913 0.8466 0.7407 0.070 Uiso 0.458(15) 1 calc PR A 2
H62 H 0.2418 0.8804 0.7999 0.070 Uiso 0.458(15) 1 calc PR A 2
C51 C 0.1995(14) 0.7424(8) 0.8213(6) 0.041(5) Uani 0.458(15) 1 d P A 2
H63 H 0.1584 0.7049 0.8435 0.062 Uiso 0.458(15) 1 calc PR A 2
H64 H 0.2743 0.7589 0.8424 0.062 Uiso 0.458(15) 1 calc PR A 2
H65 H 0.2249 0.7241 0.7834 0.062 Uiso 0.458(15) 1 calc PR A 2
C52 C 0.0559(15) 0.8244(8) 0.8719(6) 0.032(4) Uani 0.458(15) 1 d P A 2
H66 H 0.0202 0.7832 0.8915 0.048 Uiso 0.458(15) 1 calc PR A 2
H67 H -0.0104 0.8597 0.8661 0.048 Uiso 0.458(15) 1 calc PR A 2
H68 H 0.1236 0.8444 0.8957 0.048 Uiso 0.458(15) 1 calc PR A 2
C53 C -0.2844(13) 0.6671(8) 0.7132(7) 0.048(5) Uani 0.411(11) 1 d P A 2
H69 H -0.2857 0.7039 0.7429 0.072 Uiso 0.411(11) 1 calc PR A 2
H70 H -0.2031 0.6424 0.7146 0.072 Uiso 0.411(11) 1 calc PR A 2
H71 H -0.3529 0.6336 0.7204 0.072 Uiso 0.411(11) 1 calc PR A 2
C54 C -0.3003(17) 0.6500(10) 0.6067(9) 0.064(8) Uani 0.411(11) 1 d P A 2
H72 H -0.3093 0.6689 0.5674 0.096 Uiso 0.411(11) 1 calc PR A 2
H73 H -0.3695 0.6171 0.6145 0.096 Uiso 0.411(11) 1 calc PR A 2
H74 H -0.2194 0.6253 0.6102 0.096 Uiso 0.411(11) 1 calc PR A 2
C55 C -0.4289(12) 0.7443(8) 0.6546(8) 0.039(4) Uani 0.411(11) 1 d P A 2
H75 H -0.4207 0.7765 0.6875 0.058 Uiso 0.411(11) 1 calc PR A 2
H76 H -0.4968 0.7106 0.6621 0.058 Uiso 0.411(11) 1 calc PR A 2
H77 H -0.4487 0.7712 0.6196 0.058 Uiso 0.411(11) 1 calc PR A 2
C56 C -0.331(2) 0.9214(10) 0.8350(10) 0.030(5) Uani 0.475(9) 1 d P A 2
C57 C -0.2914(12) 0.9362(7) 0.8978(5) 0.030(3) Uani 0.475(9) 1 d P A 2
H78 H -0.2697 0.9860 0.9020 0.045 Uiso 0.475(9) 1 calc PR A 2
H79 H -0.2179 0.9073 0.9078 0.045 Uiso 0.475(9) 1 calc PR A 2
H80 H -0.3615 0.9247 0.9236 0.045 Uiso 0.475(9) 1 calc PR A 2
C58 C -0.4436(9) 0.9654(7) 0.8199(5) 0.033(3) Uani 0.475(9) 1 d P A 2
H81 H -0.4218 1.0153 0.8236 0.050 Uiso 0.475(9) 1 calc PR A 2
H82 H -0.5130 0.9542 0.8463 0.050 Uiso 0.475(9) 1 calc PR A 2
H83 H -0.4697 0.9555 0.7801 0.050 Uiso 0.475(9) 1 calc PR A 2
C59 C -0.3637(14) 0.8430(7) 0.8292(7) 0.037(4) Uani 0.475(9) 1 d P A 2
H84 H -0.3888 0.8328 0.7892 0.055 Uiso 0.475(9) 1 calc PR A 2
H85 H -0.4335 0.8315 0.8552 0.055 Uiso 0.475(9) 1 calc PR A 2
H86 H -0.2897 0.8145 0.8395 0.055 Uiso 0.475(9) 1 calc PR A 2
C60 C -0.6116(17) 0.9412(11) 0.6711(7) 0.038(4) Uani 0.519(16) 1 d P A 2
H87 H -0.6760 0.9084 0.6617 0.045 Uiso 0.519(16) 1 calc PR B 2
C61 C -0.6422(12) 1.0089(8) 0.6922(8) 0.047(4) Uani 0.519(16) 1 d P A 2
H88 H -0.7273 1.0199 0.7012 0.056 Uiso 0.519(16) 1 calc PR B 2
C62 C -0.5505(10) 1.0584(7) 0.6996(7) 0.041(4) Uani 0.519(16) 1 d P A 2
H89 H -0.5731 1.1030 0.7149 0.050 Uiso 0.519(16) 1 calc PR B 2
C63 C -0.4248(11) 1.0455(7) 0.6856(7) 0.034(3) Uani 0.519(16) 1 d P A 2
H90 H -0.3619 1.0810 0.6840 0.040 Uiso 0.519(16) 1 calc PR B 2
Se4 Se -0.0427(7) 0.7639(3) 0.7673(2) 0.0196(7) Uani 0.458(15) 1 d P A 2
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
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 Se4 173.33(18) . . ?
P1 Pt1 Se1 176.75(15) . . ?
Se4 Pt1 Se1 9.87(10) . . ?
P1 Pt1 Se2 98.40(4) . . ?
Se4 Pt1 Se2 86.77(15) . . ?
Se1 Pt1 Se2 78.74(14) . . ?
P1 Pt1 H1 83(2) . . ?
Se4 Pt1 H1 90(2) . . ?
Se1 Pt1 H1 100(2) . . ?
Se2 Pt1 H1 161(2) . . ?
C1 Se1 Pt2 114.3(5) . . ?
C1 Se1 Pt1 105.2(4) . . ?
Pt2 Se1 Pt1 88.90(15) . . ?
C2 C1 C3 111.9(12) . . ?
C2 C1 C4 113.2(11) . . ?
C3 C1 C4 108.2(11) . . ?
C2 C1 Se1 110.9(11) . . ?
C3 C1 Se1 107.0(8) . . ?
C4 C1 Se1 105.3(9) . . ?
C1 C2 H2 109.5 . . ?
C1 C2 H3 109.5 . . ?
H2 C2 H3 109.5 . . ?
C1 C2 H4 109.5 . . ?
H2 C2 H4 109.5 . . ?
H3 C2 H4 109.5 . . ?
C1 C3 H5 109.5 . . ?
C1 C3 H6 109.5 . . ?
H5 C3 H6 109.5 . . ?
C1 C3 H7 109.5 . . ?
H5 C3 H7 109.5 . . ?
H6 C3 H7 109.5 . . ?
C1 C4 H8 109.5 . . ?
C1 C4 H9 109.5 . . ?
H8 C4 H9 109.5 . . ?
C1 C4 H10 109.5 . . ?
H8 C4 H10 109.5 . . ?
H9 C4 H10 109.5 . . ?
P2 Pt2 Se1 175.50(11) . . ?
P2 Pt2 Se3 85.20(4) . . ?
Se1 Pt2 Se3 99.28(11) . . ?
P2 Pt2 Se2 95.46(4) . . ?
Se1 Pt2 Se2 80.11(11) . . ?
Se3 Pt2 Se2 176.139(18) . . ?
P2 Pt2 Se4 170.58(16) . . ?
Se1 Pt2 Se4 9.09(11) . . ?
Se3 Pt2 Se4 96.64(12) . . ?
Se2 Pt2 Se4 83.32(12) . . ?
C6 Se2 Pt2 107.34(17) . . ?
C6 Se2 Pt1 109.61(17) . . ?
Pt2 Se2 Pt1 87.741(16) . . ?
C6 C5 H11 109.5 . . ?
C6 C5 H12 109.5 . . ?
H11 C5 H12 109.5 . . ?
C6 C5 H13 109.5 . . ?
H11 C5 H13 109.5 . . ?
H12 C5 H13 109.5 . . ?
C54 C6 C7 136.4(8) . . ?
C54 C6 C5 47.4(10) . . ?
C7 C6 C5 114.9(10) . . ?
C54 C6 C55 118.8(11) . . ?
C7 C6 C55 44.7(7) . . ?
C5 C6 C55 141.9(8) . . ?
C54 C6 C8 63.5(12) . . ?
C7 C6 C8 109.5(8) . . ?
C5 C6 C8 110.7(10) . . ?
C55 C6 C8 66.1(8) . . ?
C54 C6 C53 106.2(12) . . ?
C7 C6 C53 57.5(8) . . ?
C5 C6 C53 62.4(9) . . ?
C55 C6 C53 101.1(9) . . ?
C8 C6 C53 150.9(7) . . ?
C54 C6 Se2 110.6(7) . . ?
C7 C6 Se2 113.0(5) . . ?
C5 C6 Se2 107.6(5) . . ?
C55 C6 Se2 110.4(6) . . ?
C8 C6 Se2 100.2(5) . . ?
C53 C6 Se2 108.8(6) . . ?
C6 C7 H14 109.5 . . ?
C6 C7 H15 109.5 . . ?
H14 C7 H15 109.5 . . ?
C6 C7 H16 109.5 . . ?
H14 C7 H16 109.5 . . ?
H15 C7 H16 109.5 . . ?
C6 C8 H17 109.5 . . ?
C6 C8 H18 109.5 . . ?
H17 C8 H18 109.5 . . ?
C6 C8 H19 109.5 . . ?
H17 C8 H19 109.5 . . ?
H18 C8 H19 109.5 . . ?
C56 Se3 C9 14.5(7) . . ?
C56 Se3 Pt2 108.0(7) . . ?
C9 Se3 Pt2 103.9(5) . . ?
C11 C9 C12 113.8(15) . . ?
C11 C9 C10 108.4(14) . . ?
C12 C9 C10 107.9(13) . . ?
C11 C9 Se3 104.5(10) . . ?
C12 C9 Se3 109.7(11) . . ?
C10 C9 Se3 112.7(10) . . ?
C9 C10 H20 109.5 . . ?
C9 C10 H21 109.5 . . ?
H20 C10 H21 109.5 . . ?
C9 C10 H22 109.5 . . ?
H20 C10 H22 109.5 . . ?
H21 C10 H22 109.5 . . ?
C9 C11 H23 109.5 . . ?
C9 C11 H24 109.5 . . ?
H23 C11 H24 109.5 . . ?
C9 C11 H25 109.5 . . ?
H23 C11 H25 109.5 . . ?
H24 C11 H25 109.5 . . ?
C9 C12 H26 109.5 . . ?
C9 C12 H27 109.5 . . ?
H26 C12 H27 109.5 . . ?
C9 C12 H28 109.5 . . ?
H26 C12 H28 109.5 . . ?
H27 C12 H28 109.5 . . ?
C13 P1 C19 105.0(2) . . ?
C13 P1 C25 102.9(2) . . ?
C19 P1 C25 102.7(2) . . ?
C13 P1 Pt1 118.38(18) . . ?
C19 P1 Pt1 112.31(18) . . ?
C25 P1 Pt1 113.91(16) . . ?
C14 C13 C18 118.1(5) . . ?
C14 C13 P1 121.8(4) . . ?
C18 C13 P1 120.1(4) . . ?
C13 C14 C15 120.5(5) . . ?
C13 C14 H29 119.8 . . ?
C15 C14 H29 119.8 . . ?
C16 C15 C14 120.8(5) . . ?
C16 C15 H30 119.6 . . ?
C14 C15 H30 119.6 . . ?
C17 C16 C15 119.6(5) . . ?
C17 C16 H31 120.2 . . ?
C15 C16 H31 120.2 . . ?
C16 C17 C18 120.9(5) . . ?
C16 C17 H32 119.5 . . ?
C18 C17 H32 119.5 . . ?
C17 C18 C13 120.2(5) . . ?
C17 C18 H33 119.9 . . ?
C13 C18 H33 119.9 . . ?
C20 C19 C24 117.9(5) . . ?
C20 C19 P1 123.8(4) . . ?
C24 C19 P1 118.2(4) . . ?
C21 C20 C19 120.7(6) . . ?
C21 C20 H34 119.6 . . ?
C19 C20 H34 119.6 . . ?
C22 C21 C20 120.7(6) . . ?
C22 C21 H35 119.6 . . ?
C20 C21 H35 119.6 . . ?
C21 C22 C23 119.6(5) . . ?
C21 C22 H36 120.2 . . ?
C23 C22 H36 120.2 . . ?
C22 C23 C24 119.6(6) . . ?
C22 C23 H37 120.2 . . ?
C24 C23 H37 120.2 . . ?
C23 C24 C19 121.2(6) . . ?
C23 C24 H38 119.4 . . ?
C19 C24 H38 119.4 . . ?
C30 C25 C26 119.0(5) . . ?
C30 C25 P1 121.6(4) . . ?
C26 C25 P1 118.9(4) . . ?
C27 C26 C25 119.8(5) . . ?
C27 C26 H39 120.1 . . ?
C25 C26 H39 120.1 . . ?
C28 C27 C26 120.9(5) . . ?
C28 C27 H40 119.6 . . ?
C26 C27 H40 119.6 . . ?
C29 C28 C27 118.9(5) . . ?
C29 C28 H41 120.6 . . ?
C27 C28 H41 120.6 . . ?
C28 C29 C30 121.2(6) . . ?
C28 C29 H42 119.4 . . ?
C30 C29 H42 119.4 . . ?
C25 C30 C29 120.2(5) . . ?
C25 C30 H43 119.9 . . ?
C29 C30 H43 119.9 . . ?
C37 P2 C43 105.6(3) . . ?
C37 P2 C31 98.7(3) . . ?
C43 P2 C31 106.0(3) . . ?
C37 P2 Pt2 115.14(18) . . ?
C43 P2 Pt2 113.8(2) . . ?
C31 P2 Pt2 116.05(17) . . ?
C36 C31 C32 117.8(6) . . ?
C36 C31 P2 125.9(5) . . ?
C32 C31 P2 116.3(4) . . ?
C33 C32 C31 121.7(5) . . ?
C33 C32 H44 119.2 . . ?
C31 C32 H44 119.2 . . ?
C32 C33 C34 119.4(6) . . ?
C32 C33 H45 120.3 . . ?
C34 C33 H45 120.3 . . ?
C35 C34 C33 120.0(6) . . ?
C35 C34 H46 120.0 . . ?
C33 C34 H46 120.0 . . ?
C34 C35 C36 120.1(6) . . ?
C34 C35 H47 120.0 . . ?
C36 C35 H47 120.0 . . ?
C31 C36 C35 121.0(6) . . ?
C31 C36 H48 119.5 . . ?
C35 C36 H48 119.5 . . ?
C38 C37 C42 118.3(6) . . ?
C38 C37 P2 121.6(4) . . ?
C42 C37 P2 119.9(5) . . ?
C39 C38 C37 120.6(6) . . ?
C39 C38 H49 119.7 . . ?
C37 C38 H49 119.7 . . ?
C40 C39 C38 120.5(6) . . ?
C40 C39 H50 119.7 . . ?
C38 C39 H50 119.7 . . ?
C41 C40 C39 120.3(6) . . ?
C41 C40 H51 119.9 . . ?
C39 C40 H51 119.9 . . ?
C40 C41 C42 119.6(6) . . ?
C40 C41 H52 120.2 . . ?
C42 C41 H52 120.2 . . ?
C37 C42 C41 120.6(6) . . ?
C37 C42 H53 119.7 . . ?
C41 C42 H53 119.7 . . ?
C44 C43 C63 123.1(7) . . ?
C44 C43 C48 112.2(7) . . ?
C63 C43 C48 33.1(5) . . ?
C44 C43 P2 118.4(5) . . ?
C63 C43 P2 117.5(7) . . ?
C48 C43 P2 124.6(6) . . ?
C60 C44 C43 121.8(11) . . ?
C60 C44 C45 21.7(9) . . ?
C43 C44 C45 118.9(9) . . ?
C60 C44 H54 113.3 . . ?
C43 C44 H54 120.6 . . ?
C45 C44 H54 120.6 . . ?
C60 C44 H55 119.1 . . ?
C43 C44 H55 119.1 . . ?
C45 C44 H55 117.3 . . ?
H54 C44 H55 21.6 . . ?
C46 C45 C44 121.5(15) . . ?
C46 C45 H56 119.2 . . ?
C44 C45 H56 119.2 . . ?
C45 C46 C47 120.9(12) . . ?
C45 C46 H57 119.6 . . ?
C47 C46 H57 119.6 . . ?
C46 C47 C48 118.4(12) . . ?
C46 C47 H58 120.8 . . ?
C48 C47 H58 120.8 . . ?
C47 C48 C43 127.5(11) . . ?
C47 C48 H59 116.3 . . ?
C43 C48 H59 116.3 . . ?
C51 C49 C50 112.6(17) . . ?
C51 C49 C52 109.6(14) . . ?
C50 C49 C52 113.2(16) . . ?
C51 C49 Se4 107.2(12) . . ?
C50 C49 Se4 108.5(13) . . ?
C52 C49 Se4 105.3(11) . . ?
C49 C50 H60 109.5 . . ?
C49 C50 H61 109.5 . . ?
H60 C50 H61 109.5 . . ?
C49 C50 H62 109.5 . . ?
H60 C50 H62 109.5 . . ?
H61 C50 H62 109.5 . . ?
C49 C51 H63 109.5 . . ?
C49 C51 H64 109.5 . . ?
H63 C51 H64 109.5 . . ?
C49 C51 H65 109.5 . . ?
H63 C51 H65 109.5 . . ?
H64 C51 H65 109.5 . . ?
C49 C52 H66 109.5 . . ?
C49 C52 H67 109.5 . . ?
H66 C52 H67 109.5 . . ?
C49 C52 H68 109.5 . . ?
H66 C52 H68 109.5 . . ?
H67 C52 H68 109.5 . . ?
C6 C53 H69 109.5 . . ?
C6 C53 H70 109.5 . . ?
H69 C53 H70 109.5 . . ?
C6 C53 H71 109.5 . . ?
H69 C53 H71 109.5 . . ?
H70 C53 H71 109.5 . . ?
C6 C54 H72 109.5 . . ?
C6 C54 H73 109.5 . . ?
H72 C54 H73 109.5 . . ?
C6 C54 H74 109.5 . . ?
H72 C54 H74 109.5 . . ?
H73 C54 H74 109.5 . . ?
C6 C55 H75 109.5 . . ?
C6 C55 H76 109.5 . . ?
H75 C55 H76 109.5 . . ?
C6 C55 H77 109.5 . . ?
H75 C55 H77 109.5 . . ?
H76 C55 H77 109.5 . . ?
C58 C56 C57 109.3(17) . . ?
C58 C56 C59 109.9(17) . . ?
C57 C56 C59 108.7(14) . . ?
C58 C56 Se3 114.3(11) . . ?
C57 C56 Se3 103.0(14) . . ?
C59 C56 Se3 111.3(15) . . ?
C56 C57 H78 109.5 . . ?
C56 C57 H79 109.5 . . ?
H78 C57 H79 109.5 . . ?
C56 C57 H80 109.5 . . ?
H78 C57 H80 109.5 . . ?
H79 C57 H80 109.5 . . ?
C56 C58 H81 109.5 . . ?
C56 C58 H82 109.5 . . ?
H81 C58 H82 109.5 . . ?
C56 C58 H83 109.5 . . ?
H81 C58 H83 109.5 . . ?
H82 C58 H83 109.5 . . ?
C56 C59 H84 109.5 . . ?
C56 C59 H85 109.5 . . ?
H84 C59 H85 109.5 . . ?
C56 C59 H86 109.5 . . ?
H84 C59 H86 109.5 . . ?
H85 C59 H86 109.5 . . ?
C44 C60 C61 118.4(16) . . ?
C44 C60 H87 120.8 . . ?
C61 C60 H87 120.8 . . ?
C62 C61 C60 120.6(12) . . ?
C62 C61 H88 119.7 . . ?
C60 C61 H88 119.7 . . ?
C61 C62 C63 122.0(12) . . ?
C61 C62 H89 119.0 . . ?
C63 C62 H89 119.0 . . ?
C62 C63 C43 112.6(11) . . ?
C62 C63 H90 123.7 . . ?
C43 C63 H90 123.7 . . ?
C49 Se4 Pt1 106.2(5) . . ?
C49 Se4 Pt2 113.3(6) . . ?
Pt1 Se4 Pt2 87.10(17) . . ?
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 2.2125(13) . ?
Pt1 Se4 2.403(5) . ?
Pt1 Se1 2.481(5) . ?
Pt1 Se2 2.4974(5) . ?
Pt1 H1 1.596(10) . ?
Se1 C1 2.017(14) . ?
Se1 Pt2 2.436(5) . ?
C1 C2 1.527(17) . ?
C1 C3 1.534(17) . ?
C1 C4 1.534(18) . ?
C2 H2 0.9800 . ?
C2 H3 0.9800 . ?
C2 H4 0.9800 . ?
C3 H5 0.9800 . ?
C3 H6 0.9800 . ?
C3 H7 0.9800 . ?
C4 H8 0.9800 . ?
C4 H9 0.9800 . ?
C4 H10 0.9800 . ?
Pt2 P2 2.2358(14) . ?
Pt2 Se3 2.4689(5) . ?
Pt2 Se2 2.4713(5) . ?
Pt2 Se4 2.591(5) . ?
Se2 C6 2.031(5) . ?
C5 C6 1.485(12) . ?
C5 H11 0.9800 . ?
C5 H12 0.9800 . ?
C5 H13 0.9800 . ?
C6 C54 1.382(15) . ?
C6 C7 1.416(12) . ?
C6 C55 1.533(14) . ?
C6 C8 1.612(13) . ?
C6 C53 1.719(17) . ?
C7 H14 0.9800 . ?
C7 H15 0.9800 . ?
C7 H16 0.9800 . ?
C8 H17 0.9800 . ?
C8 H18 0.9800 . ?
C8 H19 0.9800 . ?
Se3 C56 1.91(2) . ?
Se3 C9 2.120(16) . ?
C9 C11 1.48(2) . ?
C9 C12 1.50(2) . ?
C9 C10 1.571(19) . ?
C10 H20 0.9800 . ?
C10 H21 0.9800 . ?
C10 H22 0.9800 . ?
C11 H23 0.9800 . ?
C11 H24 0.9800 . ?
C11 H25 0.9800 . ?
C12 H26 0.9800 . ?
C12 H27 0.9800 . ?
C12 H28 0.9800 . ?
P1 C13 1.824(5) . ?
P1 C19 1.827(5) . ?
P1 C25 1.829(5) . ?
C13 C14 1.386(7) . ?
C13 C18 1.400(7) . ?
C14 C15 1.387(7) . ?
C14 H29 0.9500 . ?
C15 C16 1.372(8) . ?
C15 H30 0.9500 . ?
C16 C17 1.358(8) . ?
C16 H31 0.9500 . ?
C17 C18 1.389(7) . ?
C17 H32 0.9500 . ?
C18 H33 0.9500 . ?
C19 C20 1.379(7) . ?
C19 C24 1.386(8) . ?
C20 C21 1.373(8) . ?
C20 H34 0.9500 . ?
C21 C22 1.370(8) . ?
C21 H35 0.9500 . ?
C22 C23 1.370(8) . ?
C22 H36 0.9500 . ?
C23 C24 1.381(8) . ?
C23 H37 0.9500 . ?
C24 H38 0.9500 . ?
C25 C30 1.382(7) . ?
C25 C26 1.394(7) . ?
C26 C27 1.386(7) . ?
C26 H39 0.9500 . ?
C27 C28 1.380(8) . ?
C27 H40 0.9500 . ?
C28 C29 1.370(8) . ?
C28 H41 0.9500 . ?
C29 C30 1.384(8) . ?
C29 H42 0.9500 . ?
C30 H43 0.9500 . ?
P2 C37 1.827(6) . ?
P2 C43 1.829(6) . ?
P2 C31 1.841(6) . ?
C31 C36 1.385(7) . ?
C31 C32 1.386(8) . ?
C32 C33 1.381(8) . ?
C32 H44 0.9500 . ?
C33 C34 1.384(8) . ?
C33 H45 0.9500 . ?
C34 C35 1.369(9) . ?
C34 H46 0.9500 . ?
C35 C36 1.388(9) . ?
C35 H47 0.9500 . ?
C36 H48 0.9500 . ?
C37 C38 1.386(8) . ?
C37 C42 1.388(8) . ?
C38 C39 1.377(8) . ?
C38 H49 0.9500 . ?
C39 C40 1.373(9) . ?
C39 H50 0.9500 . ?
C40 C41 1.362(10) . ?
C40 H51 0.9500 . ?
C41 C42 1.400(10) . ?
C41 H52 0.9500 . ?
C42 H53 0.9500 . ?
C43 C44 1.379(9) . ?
C43 C63 1.405(13) . ?
C43 C48 1.479(14) . ?
C44 C60 1.267(18) . ?
C44 C45 1.583(19) . ?
C44 H54 0.9500 . ?
C44 H55 0.9500 . ?
C45 C46 1.31(3) . ?
C45 H56 0.9500 . ?
C46 C47 1.375(19) . ?
C46 H57 0.9500 . ?
C47 C48 1.381(17) . ?
C47 H58 0.9500 . ?
C48 H59 0.9500 . ?
C49 C51 1.50(2) . ?
C49 C50 1.52(2) . ?
C49 C52 1.53(2) . ?
C49 Se4 2.057(17) . ?
C50 H60 0.9800 . ?
C50 H61 0.9800 . ?
C50 H62 0.9800 . ?
C51 H63 0.9800 . ?
C51 H64 0.9800 . ?
C51 H65 0.9800 . ?
C52 H66 0.9800 . ?
C52 H67 0.9800 . ?
C52 H68 0.9800 . ?
C53 H69 0.9800 . ?
C53 H70 0.9800 . ?
C53 H71 0.9800 . ?
C54 H72 0.9800 . ?
C54 H73 0.9800 . ?
C54 H74 0.9800 . ?
C55 H75 0.9800 . ?
C55 H76 0.9800 . ?
C55 H77 0.9800 . ?
C56 C58 1.50(2) . ?
C56 C57 1.53(3) . ?
C56 C59 1.54(2) . ?
C57 H78 0.9800 . ?
C57 H79 0.9800 . ?
C57 H80 0.9800 . ?
C58 H81 0.9800 . ?
C58 H82 0.9800 . ?
C58 H83 0.9800 . ?
C59 H84 0.9800 . ?
C59 H85 0.9800 . ?
C59 H86 0.9800 . ?
C60 C61 1.41(3) . ?
C60 H87 0.9500 . ?
C61 C62 1.362(18) . ?
C61 H88 0.9500 . ?
C62 C63 1.393(15) . ?
C62 H89 0.9500 . ?
C63 H90 0.9500 . ?
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 Se1 C1 -180(100) . . . . ?
Se4 Pt1 Se1 C1 -7.3(12) . . . . ?
Se2 Pt1 Se1 C1 -151.2(5) . . . . ?
P1 Pt1 Se1 Pt2 -64.8(19) . . . . ?
Se4 Pt1 Se1 Pt2 107.6(13) . . . . ?
Se2 Pt1 Se1 Pt2 -36.32(12) . . . . ?
Pt2 Se1 C1 C2 -42.9(11) . . . . ?
Pt1 Se1 C1 C2 52.9(10) . . . . ?
Pt2 Se1 C1 C3 79.3(9) . . . . ?
Pt1 Se1 C1 C3 175.1(8) . . . . ?
Pt2 Se1 C1 C4 -165.7(7) . . . . ?
Pt1 Se1 C1 C4 -69.9(9) . . . . ?
C1 Se1 Pt2 P2 132.7(19) . . . . ?
Pt1 Se1 Pt2 P2 26.5(19) . . . . ?
C1 Se1 Pt2 Se3 -41.1(5) . . . . ?
Pt1 Se1 Pt2 Se3 -147.29(11) . . . . ?
C1 Se1 Pt2 Se2 142.8(5) . . . . ?
Pt1 Se1 Pt2 Se2 36.57(11) . . . . ?
C1 Se1 Pt2 Se4 32.7(13) . . . . ?
Pt1 Se1 Pt2 Se4 -73.5(14) . . . . ?
P2 Pt2 Se2 C6 -107.27(19) . . . . ?
Se1 Pt2 Se2 C6 73.5(2) . . . . ?
Se3 Pt2 Se2 C6 -7.6(4) . . . . ?
Se4 Pt2 Se2 C6 82.1(2) . . . . ?
P2 Pt2 Se2 Pt1 142.89(4) . . . . ?
Se1 Pt2 Se2 Pt1 -36.32(14) . . . . ?
Se3 Pt2 Se2 Pt1 -117.4(3) . . . . ?
Se4 Pt2 Se2 Pt1 -27.72(16) . . . . ?
P1 Pt1 Se2 C6 106.56(19) . . . . ?
Se4 Pt1 Se2 C6 -77.7(2) . . . . ?
Se1 Pt1 Se2 C6 -71.9(2) . . . . ?
P1 Pt1 Se2 Pt2 -145.82(4) . . . . ?
Se4 Pt1 Se2 Pt2 29.94(15) . . . . ?
Se1 Pt1 Se2 Pt2 35.75(11) . . . . ?
Pt2 Se2 C6 C54 -174.0(12) . . . . ?
Pt1 Se2 C6 C54 -80.2(13) . . . . ?
Pt2 Se2 C6 C7 4.1(8) . . . . ?
Pt1 Se2 C6 C7 98.0(7) . . . . ?
Pt2 Se2 C6 C5 -123.8(8) . . . . ?
Pt1 Se2 C6 C5 -29.9(9) . . . . ?
Pt2 Se2 C6 C55 52.4(8) . . . . ?
Pt1 Se2 C6 C55 146.2(8) . . . . ?
Pt2 Se2 C6 C8 120.5(6) . . . . ?
Pt1 Se2 C6 C8 -145.6(6) . . . . ?
Pt2 Se2 C6 C53 -57.7(7) . . . . ?
Pt1 Se2 C6 C53 36.2(7) . . . . ?
P2 Pt2 Se3 C56 102.0(6) . . . . ?
Se1 Pt2 Se3 C56 -78.5(6) . . . . ?
Se2 Pt2 Se3 C56 2.0(6) . . . . ?
Se4 Pt2 Se3 C56 -87.3(6) . . . . ?
P2 Pt2 Se3 C9 116.5(5) . . . . ?
Se1 Pt2 Se3 C9 -64.0(5) . . . . ?
Se2 Pt2 Se3 C9 16.5(6) . . . . ?
Se4 Pt2 Se3 C9 -72.8(5) . . . . ?
C56 Se3 C9 C11 -52(4) . . . . ?
Pt2 Se3 C9 C11 -160.3(11) . . . . ?
C56 Se3 C9 C12 70(5) . . . . ?
Pt2 Se3 C9 C12 -38.0(12) . . . . ?
C56 Se3 C9 C10 -169(6) . . . . ?
Pt2 Se3 C9 C10 82.1(12) . . . . ?
Se4 Pt1 P1 C13 67.2(11) . . . . ?
Se1 Pt1 P1 C13 -124.0(19) . . . . ?
Se2 Pt1 P1 C13 -152.26(18) . . . . ?
Se4 Pt1 P1 C19 -55.5(11) . . . . ?
Se1 Pt1 P1 C19 113.3(19) . . . . ?
Se2 Pt1 P1 C19 85.02(17) . . . . ?
Se4 Pt1 P1 C25 -171.7(11) . . . . ?
Se1 Pt1 P1 C25 -2.9(19) . . . . ?
Se2 Pt1 P1 C25 -31.19(19) . . . . ?
C19 P1 C13 C14 104.4(5) . . . . ?
C25 P1 C13 C14 -148.4(4) . . . . ?
Pt1 P1 C13 C14 -21.9(5) . . . . ?
C19 P1 C13 C18 -74.1(4) . . . . ?
C25 P1 C13 C18 33.1(5) . . . . ?
Pt1 P1 C13 C18 159.7(3) . . . . ?
C18 C13 C14 C15 1.2(8) . . . . ?
P1 C13 C14 C15 -177.3(4) . . . . ?
C13 C14 C15 C16 -1.5(8) . . . . ?
C14 C15 C16 C17 0.5(8) . . . . ?
C15 C16 C17 C18 0.7(8) . . . . ?
C16 C17 C18 C13 -1.0(8) . . . . ?
C14 C13 C18 C17 0.0(7) . . . . ?
P1 C13 C18 C17 178.6(4) . . . . ?
C13 P1 C19 C20 30.8(5) . . . . ?
C25 P1 C19 C20 -76.5(5) . . . . ?
Pt1 P1 C19 C20 160.7(4) . . . . ?
C13 P1 C19 C24 -150.6(5) . . . . ?
C25 P1 C19 C24 102.2(5) . . . . ?
Pt1 P1 C19 C24 -20.6(5) . . . . ?
C24 C19 C20 C21 -2.2(9) . . . . ?
P1 C19 C20 C21 176.5(5) . . . . ?
C19 C20 C21 C22 -0.1(9) . . . . ?
C20 C21 C22 C23 1.9(9) . . . . ?
C21 C22 C23 C24 -1.2(9) . . . . ?
C22 C23 C24 C19 -1.1(10) . . . . ?
C20 C19 C24 C23 2.8(9) . . . . ?
P1 C19 C24 C23 -176.0(5) . . . . ?
C13 P1 C25 C30 -141.5(4) . . . . ?
C19 P1 C25 C30 -32.5(5) . . . . ?
Pt1 P1 C25 C30 89.2(4) . . . . ?
C13 P1 C25 C26 46.3(4) . . . . ?
C19 P1 C25 C26 155.2(4) . . . . ?
Pt1 P1 C25 C26 -83.1(4) . . . . ?
C30 C25 C26 C27 2.3(7) . . . . ?
P1 C25 C26 C27 174.8(4) . . . . ?
C25 C26 C27 C28 -0.7(8) . . . . ?
C26 C27 C28 C29 -1.3(9) . . . . ?
C27 C28 C29 C30 1.8(10) . . . . ?
C26 C25 C30 C29 -1.9(8) . . . . ?
P1 C25 C30 C29 -174.2(4) . . . . ?
C28 C29 C30 C25 -0.1(9) . . . . ?
Se1 Pt2 P2 C37 -117.5(18) . . . . ?
Se3 Pt2 P2 C37 56.3(2) . . . . ?
Se2 Pt2 P2 C37 -127.5(2) . . . . ?
Se4 Pt2 P2 C37 -45.4(8) . . . . ?
Se1 Pt2 P2 C43 120.4(18) . . . . ?
Se3 Pt2 P2 C43 -65.8(2) . . . . ?
Se2 Pt2 P2 C43 110.4(2) . . . . ?
Se4 Pt2 P2 C43 -167.5(8) . . . . ?
Se1 Pt2 P2 C31 -3.0(18) . . . . ?
Se3 Pt2 P2 C31 170.8(2) . . . . ?
Se2 Pt2 P2 C31 -13.0(2) . . . . ?
Se4 Pt2 P2 C31 69.1(8) . . . . ?
C37 P2 C31 C36 -122.1(5) . . . . ?
C43 P2 C31 C36 -13.1(6) . . . . ?
Pt2 P2 C31 C36 114.3(5) . . . . ?
C37 P2 C31 C32 59.0(5) . . . . ?
C43 P2 C31 C32 168.0(4) . . . . ?
Pt2 P2 C31 C32 -64.6(5) . . . . ?
C36 C31 C32 C33 -0.1(8) . . . . ?
P2 C31 C32 C33 179.0(4) . . . . ?
C31 C32 C33 C34 -1.5(9) . . . . ?
C32 C33 C34 C35 2.3(9) . . . . ?
C33 C34 C35 C36 -1.4(10) . . . . ?
C32 C31 C36 C35 1.0(9) . . . . ?
P2 C31 C36 C35 -178.0(5) . . . . ?
C34 C35 C36 C31 -0.3(9) . . . . ?
C43 P2 C37 C38 134.5(5) . . . . ?
C31 P2 C37 C38 -116.2(5) . . . . ?
Pt2 P2 C37 C38 8.1(6) . . . . ?
C43 P2 C37 C42 -50.1(6) . . . . ?
C31 P2 C37 C42 59.2(6) . . . . ?
Pt2 P2 C37 C42 -176.5(5) . . . . ?
C42 C37 C38 C39 2.6(10) . . . . ?
P2 C37 C38 C39 178.0(5) . . . . ?
C37 C38 C39 C40 -1.3(11) . . . . ?
C38 C39 C40 C41 -0.9(12) . . . . ?
C39 C40 C41 C42 1.7(12) . . . . ?
C38 C37 C42 C41 -1.7(10) . . . . ?
P2 C37 C42 C41 -177.3(6) . . . . ?
C40 C41 C42 C37 -0.4(12) . . . . ?
C37 P2 C43 C44 169.0(5) . . . . ?
C31 P2 C43 C44 64.9(6) . . . . ?
Pt2 P2 C43 C44 -63.8(6) . . . . ?
C37 P2 C43 C63 0.3(9) . . . . ?
C31 P2 C43 C63 -103.8(9) . . . . ?
Pt2 P2 C43 C63 127.5(9) . . . . ?
C37 P2 C43 C48 -37.7(10) . . . . ?
C31 P2 C43 C48 -141.8(9) . . . . ?
Pt2 P2 C43 C48 89.5(9) . . . . ?
C63 C43 C44 C60 -5.6(15) . . . . ?
C48 C43 C44 C60 30.0(13) . . . . ?
P2 C43 C44 C60 -173.6(10) . . . . ?
C63 C43 C44 C45 -30.5(14) . . . . ?
C48 C43 C44 C45 5.0(12) . . . . ?
P2 C43 C44 C45 161.5(9) . . . . ?
C60 C44 C45 C46 -102(5) . . . . ?
C43 C44 C45 C46 2(2) . . . . ?
C44 C45 C46 C47 -7(3) . . . . ?
C45 C46 C47 C48 4(2) . . . . ?
C46 C47 C48 C43 5(2) . . . . ?
C44 C43 C48 C47 -8.6(17) . . . . ?
C63 C43 C48 C47 108(2) . . . . ?
P2 C43 C48 C47 -163.4(11) . . . . ?
C9 Se3 C56 C58 -173(6) . . . . ?
Pt2 Se3 C56 C58 -97.8(15) . . . . ?
C9 Se3 C56 C57 68(5) . . . . ?
Pt2 Se3 C56 C57 143.7(10) . . . . ?
C9 Se3 C56 C59 -48(4) . . . . ?
Pt2 Se3 C56 C59 27.5(14) . . . . ?
C43 C44 C60 C61 -5.3(19) . . . . ?
C45 C44 C60 C61 84(4) . . . . ?
C44 C60 C61 C62 7(2) . . . . ?
C60 C61 C62 C63 2(2) . . . . ?
C61 C62 C63 C43 -11(2) . . . . ?
C44 C43 C63 C62 13.5(16) . . . . ?
C48 C43 C63 C62 -66.5(15) . . . . ?
P2 C43 C63 C62 -178.4(9) . . . . ?
C51 C49 Se4 Pt1 -62.2(13) . . . . ?
C50 C49 Se4 Pt1 59.7(14) . . . . ?
C52 C49 Se4 Pt1 -178.8(10) . . . . ?
C51 C49 Se4 Pt2 -156.1(10) . . . . ?
C50 C49 Se4 Pt2 -34.2(15) . . . . ?
C52 C49 Se4 Pt2 87.3(12) . . . . ?
P1 Pt1 Se4 C49 -0.9(14) . . . . ?
Se1 Pt1 Se4 C49 -177.2(16) . . . . ?
Se2 Pt1 Se4 C49 -141.9(7) . . . . ?
P1 Pt1 Se4 Pt2 112.5(10) . . . . ?
Se1 Pt1 Se4 Pt2 -63.8(12) . . . . ?
Se2 Pt1 Se4 Pt2 -28.44(14) . . . . ?
P2 Pt2 Se4 C49 52.2(11) . . . . ?
Se1 Pt2 Se4 C49 -156.0(17) . . . . ?
Se3 Pt2 Se4 C49 -48.5(6) . . . . ?
Se2 Pt2 Se4 C49 135.3(6) . . . . ?
P2 Pt2 Se4 Pt1 -54.2(9) . . . . ?
Se1 Pt2 Se4 Pt1 97.6(14) . . . . ?
Se3 Pt2 Se4 Pt1 -154.95(15) . . . . ?
Se2 Pt2 Se4 Pt1 28.93(15) . . . . ?
