#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/14/7031404.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_7031404
loop_
_publ_author_name
'Privér, Steven H'
'Bennett, Martin A.'
'Willis, Anthony C.'
'Pottabathula, Srinivas'
'Lakshmi Kantam, M.'
'Bhargava, Suresh K.'
_publ_section_title
;
 ortho-Metallated triphenylphosphine chalcogenide complexes of platinum
 and palladium: synthesis and catalytic activity.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12000
_journal_page_last               12012
_journal_paper_doi               10.1039/c4dt01236d
_journal_volume                  43
_journal_year                    2014
_chemical_compound_source        ' from RMIT University'
_chemical_formula_moiety         'C36 H28 P2 Pt Se2, 2(C2 H4 Cl2)'
_chemical_formula_sum            'C40 H36 Cl4 P2 Pt Se2'
_chemical_formula_weight         1073.49
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             09-03-03
_audit_creation_method           CRYSTALS_ver_12.85
_audit_update_record
;
2009-03-03- Report on C40 H36 Cl4 P2 Pt1 Se2 
             by   Anthony C. Willis
             for  Steven Priver and Martin Bennett

2009-03-03- passes checkcif tests with minor warnings  
;
_cell_angle_alpha                90
_cell_angle_beta                 107.2742(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.0935(4)
_cell_length_b                   11.4059(2)
_cell_length_c                   22.5098(4)
_cell_measurement_reflns_used    68764
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.6
_cell_volume                     3945.55(14)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001).'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
; 
ORTEP-II (Johnson 1976) in teXsan (MSC, 1992-1997)
;
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      200
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_device_type  Area
_diffrn_measurement_method       ' φ and ω scans with CCD '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.093
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            38436
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.524
_diffrn_reflns_theta_min         2.567
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.782
_exptl_absorpt_correction_T_max  0.796
_exptl_absorpt_correction_T_min  0.226
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
via Gaussian method (Coppens, 1970) implemented in maXus (2000)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.70
_refine_diff_density_min         -1.24
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9215
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         4525
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.038249
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.06P)² + 0.00P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1167
_refine_ls_wR_factor_gt          0.1118
_refine_ls_wR_factor_ref         0.1167
_reflns_limit_h_max              19
_reflns_limit_h_min              -20
_reflns_limit_k_max              14
_reflns_limit_k_min              0
_reflns_limit_l_max              29
_reflns_limit_l_min              0
_reflns_number_gt                3488
_reflns_number_total             4539
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   3.29
_oxford_diffrn_Wilson_scale      124.56
_oxford_refine_ls_r_factor_ref   0.0622
_oxford_refine_ls_scale          0.12619(6)
_oxford_reflns_number_all        4525
_oxford_reflns_threshold_expression_ref I>-10.0\s(I)
_oxford_structure_analysis_title '2261648 ben0903'
_cod_data_source_file            c4dt01236d2.cif
_cod_data_source_block           complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7031403--7031415.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C40 H36 Cl4 P2 Pt1 Se2'
_cod_database_code               7031404
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,-z
-x,y,-z+1/2
x,-y,z+1/2
-x+1/2,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Pt1 Pt 0.5000 0.25907(4) 0.2500 0.0387 1.0000 Uani S T .
Se1 Se 0.48054(6) 0.10113(6) 0.32201(4) 0.0480 1.0000 Uani . . .
Cl31 Cl 0.2905(7) 0.6201(14) 0.4232(6) 0.1284 0.535(9) Uani D U P
Cl32 Cl 0.2763(7) 0.8836(8) 0.3610(5) 0.1308 0.535(9) Uani D U P
Cl41 Cl 0.3190(6) 0.6192(17) 0.4529(8) 0.1276 0.465(9) Uani D U P
Cl42 Cl 0.2867(9) 0.8972(11) 0.4095(7) 0.1609 0.465(9) Uani D U P
P1 P 0.40566(14) 0.22420(17) 0.35811(9) 0.0451 1.0000 Uani . . .
C1 C 0.4601(5) 0.3625(6) 0.3612(4) 0.0457 1.0000 Uani . . .
C2 C 0.5001(4) 0.3819(6) 0.3152(3) 0.0375 1.0000 Uani . . .
C3 C 0.5467(5) 0.4873(7) 0.3207(4) 0.0529 1.0000 Uani . . .
C4 C 0.5531(6) 0.5665(7) 0.3679(4) 0.0595 1.0000 Uani . . .
C5 C 0.5104(7) 0.5467(8) 0.4117(4) 0.0654 1.0000 Uani . . .
C6 C 0.4640(7) 0.4416(8) 0.4097(4) 0.0619 1.0000 Uani . . .
C11 C 0.2947(5) 0.2370(7) 0.3099(4) 0.0475 1.0000 Uani . . .
C12 C 0.2537(6) 0.1458(8) 0.2704(4) 0.0587 1.0000 Uani . . .
C13 C 0.1654(7) 0.1582(10) 0.2362(5) 0.0748 1.0000 Uani . . .
C14 C 0.1255(8) 0.2585(9) 0.2424(5) 0.0725 1.0000 Uani . . .
C15 C 0.1609(6) 0.3477(10) 0.2800(5) 0.0718 1.0000 Uani . . .
C16 C 0.2473(6) 0.3391(8) 0.3140(5) 0.0618 1.0000 Uani . . .
C21 C 0.4006(6) 0.1848(7) 0.4346(4) 0.0560 1.0000 Uani . . .
C22 C 0.4783(8) 0.1706(9) 0.4824(4) 0.0679 1.0000 Uani . . .
C23 C 0.4775(10) 0.1356(10) 0.5412(5) 0.0927 1.0000 Uani . . .
C24 C 0.4006(10) 0.1188(10) 0.5533(6) 0.0924 1.0000 Uani . . .
C25 C 0.3257(11) 0.1329(12) 0.5083(7) 0.1076 1.0000 Uani . . .
C26 C 0.3259(7) 0.1663(11) 0.4475(5) 0.0813 1.0000 Uani . . .
C31 C 0.2049(14) 0.719(2) 0.4045(16) 0.1176 0.535(9) Uani D U P
C32 C 0.2317(19) 0.842(2) 0.4204(12) 0.1234 0.535(9) Uani D U P
C41 C 0.2215(14) 0.658(2) 0.4015(16) 0.1223 0.465(9) Uani D U P
C42 C 0.221(2) 0.778(2) 0.3718(14) 0.1304 0.465(9) Uani D U P
H31 H 0.5766 0.5058 0.2887 0.0609 1.0000 Uiso R . .
H41 H 0.5890 0.6390 0.3704 0.0677 1.0000 Uiso R . .
H51 H 0.5126 0.6064 0.4447 0.0754 1.0000 Uiso R . .
H61 H 0.4344 0.4237 0.4419 0.0740 1.0000 Uiso R . .
H121 H 0.2865 0.0732 0.2665 0.0715 1.0000 Uiso R . .
H131 H 0.1334 0.0942 0.2082 0.0907 1.0000 Uiso R . .
H141 H 0.0635 0.2677 0.2164 0.0875 1.0000 Uiso R . .
H151 H 0.1258 0.4183 0.2834 0.0879 1.0000 Uiso R . .
H161 H 0.2765 0.4052 0.3415 0.0745 1.0000 Uiso R . .
H221 H 0.5351 0.1859 0.4742 0.0810 1.0000 Uiso R . .
H231 H 0.5336 0.1228 0.5748 0.1082 1.0000 Uiso R . .
H241 H 0.4000 0.0957 0.5960 0.1149 1.0000 Uiso R . .
H251 H 0.2692 0.1198 0.5173 0.1410 1.0000 Uiso R . .
H261 H 0.2694 0.1763 0.4141 0.1010 1.0000 Uiso R . .
H311 H 0.1627 0.6965 0.4273 0.1395 0.535 Uiso R . .
H312 H 0.1757 0.7147 0.3587 0.1395 0.535 Uiso R . .
H321 H 0.2761 0.8466 0.4621 0.1453 0.535 Uiso R . .
H322 H 0.1805 0.8917 0.4200 0.1453 0.535 Uiso R . .
H411 H 0.1766 0.6587 0.4241 0.1433 0.465 Uiso R . .
H412 H 0.2057 0.5983 0.3676 0.1433 0.465 Uiso R . .
H421 H 0.1596 0.8068 0.3610 0.1505 0.465 Uiso R . .
H422 H 0.2370 0.7641 0.3327 0.1505 0.465 Uiso R . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Pt -1.7033 8.3905 27.0059 1.5129 17.7639 8.8117 15.7131 0.4246 5.7837 38.6103
11.6883 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Se -0.0929 2.2259 17.0006 2.4098 5.8196 0.2726 3.9731 15.2372 4.3543 43.8163
2.8409 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.160
1 0 0 0.190
1 -1 0 0.091
1 3 0 0.090
0 1 0 0.100
0 -1 0 0.160
0 0 1 0.030
0 0 -1 0.010
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 5_655 Pt1 Se1 5_655 90.1(2) yes
C2 5_655 Pt1 P1 5_655 56.2(2) yes
Se1 5_655 Pt1 P1 5_655 41.58(4) yes
C2 5_655 Pt1 Se1 . 172.57(19) yes
Se1 5_655 Pt1 Se1 . 88.01(4) yes
P1 5_655 Pt1 Se1 . 124.90(4) yes
C2 5_655 Pt1 P1 . 136.5(2) yes
Se1 5_655 Pt1 P1 . 124.90(4) yes
P1 5_655 Pt1 P1 . 165.95(7) yes
Se1 . Pt1 P1 . 41.58(4) yes
C2 5_655 Pt1 C2 . 92.6(4) yes
Se1 5_655 Pt1 C2 . 172.57(19) yes
P1 5_655 Pt1 C2 . 136.5(2) yes
Se1 . Pt1 C2 . 90.1(2) yes
P1 . Pt1 C2 . 56.2(2) yes
Pt1 . Se1 P1 . 88.11(6) yes
Se1 . P1 Pt1 . 50.31(5) yes
Se1 . P1 C1 . 105.4(3) yes
Pt1 . P1 C1 . 65.8(2) yes
Se1 . P1 C11 . 113.0(3) yes
Pt1 . P1 C11 . 98.0(2) yes
C1 . P1 C11 . 109.7(4) yes
Se1 . P1 C21 . 112.7(3) yes
Pt1 . P1 C21 . 155.2(3) yes
C1 . P1 C21 . 110.0(4) yes
C11 . P1 C21 . 106.1(4) yes
P1 . C1 C2 . 116.1(6) yes
P1 . C1 C6 . 120.2(6) yes
C2 . C1 C6 . 123.7(8) yes
C1 . C2 Pt1 . 121.8(5) yes
C1 . C2 C3 . 115.1(7) yes
Pt1 . C2 C3 . 122.8(6) yes
C2 . C3 C4 . 123.2(8) yes
C2 . C3 H31 . 118.4 no
C4 . C3 H31 . 118.4 no
C3 . C4 C5 . 120.4(8) yes
C3 . C4 H41 . 119.8 no
C5 . C4 H41 . 119.8 no
C4 . C5 C6 . 119.3(8) yes
C4 . C5 H51 . 120.3 no
C6 . C5 H51 . 120.3 no
C5 . C6 C1 . 118.2(8) yes
C5 . C6 H61 . 120.9 no
C1 . C6 H61 . 120.9 no
P1 . C11 C12 . 121.3(6) yes
P1 . C11 C16 . 119.1(7) yes
C12 . C11 C16 . 119.5(8) yes
C11 . C12 C13 . 118.8(9) yes
C11 . C12 H121 . 120.6 no
C13 . C12 H121 . 120.6 no
C12 . C13 C14 . 117.8(10) yes
C12 . C13 H131 . 121.1 no
C14 . C13 H131 . 121.1 no
C13 . C14 C15 . 126.0(11) yes
C13 . C14 H141 . 117.0 no
C15 . C14 H141 . 117.0 no
C14 . C15 C16 . 117.9(10) yes
C14 . C15 H151 . 121.1 no
C16 . C15 H151 . 121.1 no
C11 . C16 C15 . 120.0(9) yes
C11 . C16 H161 . 120.0 no
C15 . C16 H161 . 120.0 no
P1 . C21 C22 . 118.7(7) yes
P1 . C21 C26 . 123.1(8) yes
C22 . C21 C26 . 118.2(9) yes
C21 . C22 C23 . 120.6(11) yes
C21 . C22 H221 . 119.7 no
C23 . C22 H221 . 119.6 no
C22 . C23 C24 . 119.9(12) yes
C22 . C23 H231 . 120.1 no
C24 . C23 H231 . 120.0 no
C23 . C24 C25 . 120.2(11) yes
C23 . C24 H241 . 120.0 no
C25 . C24 H241 . 119.9 no
C24 . C25 C26 . 120.3(12) yes
C24 . C25 H251 . 119.9 no
C26 . C25 H251 . 119.8 no
C25 . C26 C21 . 120.8(12) yes
C25 . C26 H261 . 119.6 no
C21 . C26 H261 . 119.6 no
Cl31 . C31 C32 . 113.9(16) yes
Cl31 . C31 H311 . 108.5 no
C32 . C31 H311 . 108.4 no
Cl31 . C31 H312 . 108.2 no
C32 . C31 H312 . 108.3 no
H311 . C31 H312 . 109.5 no
C31 . C32 Cl32 . 103.3(17) yes
C31 . C32 H321 . 111.0 no
Cl32 . C32 H321 . 111.0 no
C31 . C32 H322 . 111.0 no
Cl32 . C32 H322 . 111.1 no
H321 . C32 H322 . 109.5 no
Cl41 . C41 C42 . 114.6(17) yes
Cl41 . C41 H411 . 108.2 no
Cl31 . C41 H411 . 122.2 no
C42 . C41 H411 . 108.1 no
Cl41 . C41 H412 . 108.2 no
C42 . C41 H412 . 108.3 no
H411 . C41 H412 . 109.5 no
C41 . C42 Cl42 . 123.6(18) yes
C41 . C42 H421 . 105.9 no
Cl42 . C42 H421 . 105.9 no
C41 . C42 H422 . 105.7 no
Cl42 . C42 H422 . 105.9 no
H421 . C42 H422 . 109.5 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 C2 5_655 2.028(7) yes
Pt1 Se1 5_655 2.5045(8) yes
Pt1 P1 5_655 3.253(2) yes
Pt1 Se1 . 2.5045(8) yes
Pt1 P1 . 3.253(2) yes
Pt1 C2 . 2.028(7) yes
Se1 P1 . 2.160(2) yes
Cl31 C31 . 1.736(17) yes
Cl31 C41 . 1.16(2) yes
Cl31 H412 . 1.575 no
Cl32 C32 . 1.761(17) yes
Cl32 C42 . 1.56(3) yes
Cl32 H422 . 1.557 no
Cl41 C31 . 2.16(3) yes
Cl41 C41 . 1.710(17) yes
Cl42 C32 . 1.17(2) yes
Cl42 C42 . 1.773(18) yes
Cl42 H321 . 1.373 no
P1 C1 . 1.796(8) yes
P1 C11 . 1.799(8) yes
P1 C21 . 1.805(8) yes
C1 C2 . 1.390(10) yes
C1 C6 . 1.404(11) yes
C2 C3 . 1.403(10) yes
C3 C4 . 1.375(12) yes
C3 H31 . 1.000 no
C4 C5 . 1.378(12) yes
C4 H41 . 1.000 no
C5 C6 . 1.407(13) yes
C5 H51 . 1.000 no
C6 H61 . 1.000 no
C11 C12 . 1.400(11) yes
C11 C16 . 1.409(11) yes
C12 C13 . 1.408(13) yes
C12 H121 . 1.000 no
C13 C14 . 1.339(14) yes
C13 H131 . 1.000 no
C14 C15 . 1.339(14) yes
C14 H141 . 1.000 no
C15 C16 . 1.377(13) yes
C15 H151 . 1.000 no
C16 H161 . 1.000 no
C21 C22 . 1.395(14) yes
C21 C26 . 1.335(13) yes
C22 C23 . 1.387(14) yes
C22 H221 . 1.000 no
C23 C24 . 1.358(17) yes
C23 H231 . 1.000 no
C24 C25 . 1.334(19) yes
C24 H241 . 1.000 no
C25 C26 . 1.420(15) yes
C25 H251 . 1.000 no
C26 H261 . 1.000 no
C31 C32 . 1.473(18) yes
C31 H311 . 1.000 no
C31 H312 . 1.000 no
C32 H321 . 1.000 no
C32 H322 . 1.000 no
C41 C42 . 1.522(18) yes
C41 H411 . 1.000 no
C41 H412 . 1.000 no
C42 H421 . 1.000 no
C42 H422 . 1.000 no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Cl31 C6 3.54(2) . no
Cl32 C14 3.48(2) 7 no
Cl32 C12 3.58(1) 1_565 no
Cl41 C32 3.22(4) 4_566 no
Cl41 C6 3.44(2) . no
Cl41 C5 3.57(2) . no
Cl42 C26 3.20(2) 1_565 no
Cl42 C25 3.43(2) 1_565 no
C3 C32 3.56(3) 3_545 no
C25 C25 3.56(3) 4_556 no
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_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Pt1 Se1 P1 C1 . . . -38.8(3) no
Pt1 Se1 P1 C11 . . . 81.0(3) no
Pt1 Se1 P1 C21 . . . -158.7(3) no
Pt1 Se1 P1 C1 5_655 5_655 5_655 -38.8(3) no
Pt1 Se1 P1 C11 5_655 5_655 5_655 81.0(3) no
Pt1 Se1 P1 C21 5_655 5_655 5_655 -158.7(3) no
Pt1 C2 C1 P1 . . . -1.8(7) no
Pt1 C2 C1 C6 . . . 175.3(6) no
Pt1 C2 C3 C4 . . . -174.4(6) no
Pt1 C2 C1 P1 5_655 5_655 5_655 -1.8(7) no
Pt1 C2 C1 C6 5_655 5_655 5_655 175.3(6) no
Pt1 C2 C3 C4 5_655 5_655 5_655 -174.4(6) no
Se1 Pt1 Se1 P1 . 5_655 5_655 -154.41(6) no
Se1 Pt1 C2 C1 . . . -24.6(5) no
Se1 Pt1 C2 C3 . . . 149.5(5) no
Se1 P1 C1 C2 . . . 32.9(6) no
Se1 P1 C1 C6 . . . -144.2(6) no
Se1 P1 C11 C12 . . . 24.8(9) no
Se1 P1 C11 C16 . . . -157.8(7) no
Se1 P1 C21 C22 . . . 56.8(8) no
Se1 P1 C21 C26 . . . -121.8(8) no
Cl31 C31 C32 Cl32 . . . 77(2) no
Cl41 C41 C42 Cl42 . . . -31(4) no
P1 Se1 Pt1 C2 . . . 32.8(2) no
P1 C1 C2 C3 . . . -176.3(5) no
P1 C1 C6 C5 . . . 177.4(7) no
P1 C11 C12 C13 . . . 176.7(8) no
P1 C11 C16 C15 . . . -176.4(9) no
P1 C21 C22 C23 . . . -177.3(8) no
P1 C21 C26 C25 . . . 178.6(9) no
C1 P1 C11 C12 . . . 142.1(8) no
C1 P1 C11 C16 . . . -41(1) no
C1 P1 C21 C22 . . . -60.4(8) no
C1 P1 C21 C26 . . . 120.9(9) no
C1 C2 Pt1 C2 . . 5_655 148.5(6) no
C1 C2 C3 C4 . . . 0(1) no
C1 C6 C5 C4 . . . -3(1) no
C2 Pt1 C2 C3 . 5_655 5_655 -37.4(5) no
C2 C1 P1 C11 . . . -89.0(6) no
C2 C1 P1 C21 . . . 154.6(6) no
C2 C1 C6 C5 . . . 0(1) no
C2 C3 C4 C5 . . . -2(1) no
C3 C2 C1 C6 . . . 1(1) no
C3 C4 C5 C6 . . . 3(1) no
C6 C1 P1 C11 . . . 93.8(7) no
C6 C1 P1 C21 . . . -22.6(8) no
C11 P1 C21 C22 . . . -179.0(7) no
C11 P1 C21 C26 . . . 2(1) no
C11 C12 C13 C14 . . . 1(2) no
C11 C16 C15 C14 . . . -2(2) no
C12 C11 P1 C21 . . . -99.1(9) no
C12 C11 C16 C15 . . . 1(2) no
C12 C13 C14 C15 . . . -2(2) no
C13 C12 C11 C16 . . . -1(2) no
C13 C14 C15 C16 . . . 3(2) no
C16 C11 P1 C21 . . . 78.3(9) no
C21 C22 C23 C24 . . . -2(2) no
C21 C26 C25 C24 . . . -0(2) no
C22 C21 C26 C25 . . . -0(2) no
C22 C23 C24 C25 . . . 2(2) no
C23 C22 C21 C26 . . . 1(2) no
C23 C24 C25 C26 . . . -0(2) no
loop_
_oxford_twin_element_scale_factors
0.7320(15)
0.2680(15)
