#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:37:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179799 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/95/7009582.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_7009582
loop_
_publ_author_name
'Ang, How Ghee'
'Ang, Siau Gek'
'Wang, Xiao'
_publ_section_title
;
 Formation of new cluster derivatives of triphospholene via ligand
 substitution and cleavage of P--P bond(s)
;
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3429
_journal_paper_doi               10.1039/b002140g
_journal_year                    2000
_chemical_formula_sum            'C43 H25 O11 Os3 P3'
_chemical_formula_weight         1381.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                111.977(14)
_cell_angle_beta                 104.098(11)
_cell_angle_gamma                90.74(2)
_cell_formula_units_Z            2
_cell_length_a                   11.309(2)
_cell_length_b                   13.627(3)
_cell_length_c                   15.910(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2190.4(7)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'ω 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  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0580
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14342
_diffrn_reflns_theta_max         29.30
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    8.847
_exptl_absorpt_correction_type   Semiempirical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.094
_exptl_crystal_description       Diamond-shaped
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.423
_refine_diff_density_min         -1.339
_refine_diff_density_rms         0.165
_refine_ls_extinction_coef       0.00070(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.991
_refine_ls_goodness_of_fit_obs   1.019
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         10218
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.991
_refine_ls_restrained_S_obs      1.019
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_obs          0.0359
_refine_ls_shift/esd_max         -0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0379P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0879
_refine_ls_wR_factor_obs         0.0775
_reflns_number_observed          7633
_reflns_number_total             10218
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b002140g.txt
_cod_data_source_block           cluster1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0379P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0379P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009582
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Os1 Os 0.80043(2) 0.98517(2) 0.25476(2) 0.03487(7) Uani 1 d . .
C11 C 0.7017(7) 1.0155(6) 0.3393(5) 0.052(2) Uani 1 d . .
O11 O 0.6336(6) 1.0215(5) 0.3843(4) 0.081(2) Uani 1 d . .
C12 C 0.6938(6) 1.0543(6) 0.1858(5) 0.048(2) Uani 1 d . .
O12 O 0.6280(5) 1.1017(5) 0.1523(4) 0.076(2) Uani 1 d . .
C13 C 0.9150(6) 0.9271(5) 0.3311(5) 0.046(2) Uani 1 d . .
O13 O 0.9821(5) 0.9011(4) 0.3832(4) 0.0648(14) Uani 1 d . .
Os2 Os 0.86210(2) 0.84186(2) 0.08757(2) 0.04133(8) Uani 1 d . .
C21 C 0.8373(7) 0.7123(7) -0.0206(6) 0.062(2) Uani 1 d . .
O21 O 0.8205(6) 0.6326(5) -0.0837(4) 0.087(2) Uani 1 d . .
C22 C 0.7513(7) 0.9127(6) 0.0212(5) 0.056(2) Uani 1 d . .
O22 O 0.6915(6) 0.9541(5) -0.0218(4) 0.081(2) Uani 1 d . .
C23 C 0.9746(7) 0.7855(6) 0.1661(5) 0.053(2) Uani 1 d . .
O23 O 1.0497(6) 0.7537(6) 0.2080(4) 0.082(2) Uani 1 d . .
C24 C 0.9995(7) 0.9122(6) 0.0732(5) 0.050(2) Uani 1 d . .
O24 O 1.0845(5) 0.9498(4) 0.0641(3) 0.0651(15) Uani 1 d . .
Os3 Os 0.66330(2) 0.77713(2) 0.14957(2) 0.04493(8) Uani 1 d . .
C31 C 0.5545(7) 0.8455(7) 0.0798(6) 0.062(2) Uani 1 d . .
O31 O 0.4850(6) 0.8808(6) 0.0383(5) 0.104(2) Uani 1 d . .
C32 C 0.7786(7) 0.7195(6) 0.2267(5) 0.053(2) Uani 1 d . .
O32 O 0.8404(5) 0.6841(5) 0.2729(4) 0.071(2) Uani 1 d . .
C33 C 0.6190(8) 0.6405(8) 0.0469(6) 0.076(3) Uani 1 d . .
O33 O 0.5905(7) 0.5620(6) -0.0165(5) 0.110(3) Uani 1 d . .
C34 C 0.5448(7) 0.7777(7) 0.2176(6) 0.063(2) Uani 1 d . .
O34 O 0.4737(6) 0.7755(6) 0.2568(4) 0.093(2) Uani 1 d . .
P1 P 0.98669(15) 1.18394(13) 0.19793(10) 0.0367(3) Uani 1 d . .
C101 C 1.1380(6) 1.2637(5) 0.2530(4) 0.0445(15) Uani 1 d . .
C102 C 1.1631(7) 1.3674(6) 0.3168(5) 0.056(2) Uani 1 d . .
H10A H 1.0992(7) 1.4035(6) 0.3364(5) 0.067 Uiso 1 calc R .
C103 C 1.2812(8) 1.4194(8) 0.3527(6) 0.072(2) Uani 1 d . .
H10B H 1.2961(8) 1.4898(8) 0.3958(6) 0.087 Uiso 1 calc R .
C104 C 1.3758(8) 1.3672(9) 0.3247(7) 0.084(3) Uani 1 d . .
H10C H 1.4556(8) 1.4013(9) 0.3510(7) 0.100 Uiso 1 calc R .
C105 C 1.3552(8) 1.2680(9) 0.2602(7) 0.082(3) Uani 1 d . .
H10D H 1.4201(8) 1.2350(9) 0.2396(7) 0.098 Uiso 1 calc R .
C106 C 1.2368(7) 1.2127(7) 0.2229(6) 0.064(2) Uani 1 d . .
H10E H 1.2235(7) 1.1430(7) 0.1786(6) 0.076 Uiso 1 calc R .
P2 P 0.95031(14) 1.13366(13) 0.30954(10) 0.0339(3) Uani 1 d . .
C201 C 1.1019(5) 1.1149(5) 0.3695(4) 0.0397(14) Uani 1 d . .
C202 C 1.1491(6) 1.1602(6) 0.4655(5) 0.053(2) Uani 1 d . .
H20A H 1.1051(6) 1.2066(6) 0.5024(5) 0.063 Uiso 1 calc R .
C203 C 1.2610(8) 1.1376(7) 0.5073(6) 0.073(2) Uani 1 d . .
H20B H 1.2909(8) 1.1683(7) 0.5725(6) 0.087 Uiso 1 calc R .
C204 C 1.3290(7) 1.0713(7) 0.4556(6) 0.064(2) Uani 1 d . .
H20C H 1.4057(7) 1.0588(7) 0.4849(6) 0.077 Uiso 1 calc R .
C205 C 1.2829(7) 1.0232(7) 0.3595(6) 0.072(2) Uani 1 d . .
H20D H 1.3274(7) 0.9764(7) 0.3234(6) 0.086 Uiso 1 calc R .
C206 C 1.1707(7) 1.0447(7) 0.3173(5) 0.058(2) Uani 1 d . .
H20E H 1.1399(7) 1.0117(7) 0.2524(5) 0.070 Uiso 1 calc R .
P3 P 0.92189(15) 1.29723(13) 0.39665(10) 0.0375(3) Uani 1 d . .
C301 C 0.8022(6) 1.2797(5) 0.4516(4) 0.045(2) Uani 1 d . .
C302 C 0.8457(8) 1.2813(8) 0.5422(5) 0.075(3) Uani 1 d . .
H30A H 0.9297(8) 1.2908(8) 0.5704(5) 0.090 Uiso 1 calc R .
C303 C 0.7621(10) 1.2684(9) 0.5901(6) 0.092(3) Uani 1 d . .
H30B H 0.7915(10) 1.2670(9) 0.6495(6) 0.110 Uiso 1 calc R .
C304 C 0.6399(9) 1.2580(8) 0.5524(6) 0.080(3) Uani 1 d . .
H30C H 0.5857(9) 1.2502(8) 0.5857(6) 0.096 Uiso 1 calc R .
C305 C 0.5971(7) 1.2591(6) 0.4659(6) 0.062(2) Uani 1 d . .
H30D H 0.5129(7) 1.2537(6) 0.4400(6) 0.075 Uiso 1 calc R .
C306 C 0.6779(6) 1.2682(6) 0.4150(5) 0.051(2) Uani 1 d . .
H30E H 0.6465(6) 1.2663(6) 0.3547(5) 0.061 Uiso 1 calc R .
C4 C 0.8476(5) 1.3296(5) 0.2951(4) 0.0363(13) Uani 1 d . .
C401 C 0.7618(6) 1.4137(5) 0.3095(4) 0.0416(14) Uani 1 d . .
C402 C 0.7832(7) 1.5004(6) 0.3971(5) 0.056(2) Uani 1 d . .
H40A H 0.8504(7) 1.5047(6) 0.4461(5) 0.067 Uiso 1 calc R .
C403 C 0.7063(9) 1.5781(6) 0.4108(6) 0.070(2) Uani 1 d . .
H40B H 0.7217(9) 1.6348(6) 0.4688(6) 0.084 Uiso 1 calc R .
C404 C 0.6073(9) 1.5727(7) 0.3398(7) 0.074(3) Uani 1 d . .
H40C H 0.5549(9) 1.6255(7) 0.3495(7) 0.089 Uiso 1 calc R .
C405 C 0.5850(7) 1.4901(8) 0.2544(6) 0.071(2) Uani 1 d . .
H40D H 0.5184(7) 1.4884(8) 0.2060(6) 0.085 Uiso 1 calc R .
C406 C 0.6598(6) 1.4082(6) 0.2383(5) 0.055(2) Uani 1 d . .
H40E H 0.6414(6) 1.3507(6) 0.1806(5) 0.066 Uiso 1 calc R .
C5 C 0.8853(5) 1.2884(5) 0.2165(4) 0.0351(13) Uani 1 d . .
C501 C 0.8592(5) 1.3281(5) 0.1378(4) 0.0381(13) Uani 1 d . .
C502 C 0.9000(8) 1.4310(6) 0.1528(5) 0.062(2) Uani 1 d . .
H50A H 0.9397(8) 1.4786(6) 0.2133(5) 0.075 Uiso 1 calc R .
C503 C 0.8824(9) 1.4641(7) 0.0782(7) 0.083(3) Uani 1 d . .
H50B H 0.9107(9) 1.5333(7) 0.0890(7) 0.100 Uiso 1 calc R .
C504 C 0.8233(9) 1.3947(8) -0.0112(6) 0.081(3) Uani 1 d . .
H50C H 0.8108(9) 1.4166(8) -0.0611(6) 0.097 Uiso 1 calc R .
C505 C 0.7829(8) 1.2928(8) -0.0263(5) 0.072(2) Uani 1 d . .
H50D H 0.7415(8) 1.2458(8) -0.0867(5) 0.086 Uiso 1 calc R .
C506 C 0.8029(7) 1.2590(6) 0.0476(5) 0.053(2) Uani 1 d . .
H50E H 0.7780(7) 1.1887(6) 0.0358(5) 0.064 Uiso 1 calc R .
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'
Os Os -1.2165 7.6030 '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
C11 Os1 C12 88.8(3) . . ?
C11 Os1 C13 90.7(3) . . ?
C12 Os1 C13 175.2(3) . . ?
C11 Os1 P2 107.4(2) . . ?
C12 Os1 P2 88.1(2) . . ?
C13 Os1 P2 87.5(2) . . ?
C11 Os1 Os3 89.8(2) . . ?
C12 Os1 Os3 94.9(2) . . ?
C13 Os1 Os3 89.9(2) . . ?
P2 Os1 Os3 162.56(4) . . ?
C11 Os1 Os2 150.3(2) . . ?
C12 Os1 Os2 92.7(2) . . ?
C13 Os1 Os2 90.1(2) . . ?
P2 Os1 Os2 102.29(4) . . ?
Os3 Os1 Os2 60.46(2) . . ?
O11 C11 Os1 171.5(7) . . ?
O12 C12 Os1 173.7(6) . . ?
O13 C13 Os1 173.7(6) . . ?
C21 Os2 C24 99.3(3) . . ?
C21 Os2 C23 92.8(3) . . ?
C24 Os2 C23 89.4(3) . . ?
C21 Os2 C22 93.6(3) . . ?
C24 Os2 C22 89.9(3) . . ?
C23 Os2 C22 173.6(3) . . ?
C21 Os2 Os1 153.1(2) . . ?
C24 Os2 Os1 107.6(2) . . ?
C23 Os2 Os1 88.6(2) . . ?
C22 Os2 Os1 85.6(2) . . ?
C21 Os2 Os3 93.7(2) . . ?
C24 Os2 Os3 166.9(2) . . ?
C23 Os2 Os3 88.8(2) . . ?
C22 Os2 Os3 90.4(2) . . ?
Os1 Os2 Os3 59.44(2) . . ?
O21 C21 Os2 177.3(7) . . ?
O22 C22 Os2 175.1(6) . . ?
O23 C23 Os2 173.0(6) . . ?
O24 C24 Os2 176.6(6) . . ?
C34 Os3 C33 102.3(4) . . ?
C34 Os3 C31 89.1(3) . . ?
C33 Os3 C31 92.4(4) . . ?
C34 Os3 C32 91.1(3) . . ?
C33 Os3 C32 91.9(4) . . ?
C31 Os3 C32 175.5(3) . . ?
C34 Os3 Os1 102.7(3) . . ?
C33 Os3 Os1 154.9(2) . . ?
C31 Os3 Os1 85.7(2) . . ?
C32 Os3 Os1 89.9(2) . . ?
C34 Os3 Os2 162.7(3) . . ?
C33 Os3 Os2 94.8(2) . . ?
C31 Os3 Os2 88.4(2) . . ?
C32 Os3 Os2 90.2(2) . . ?
Os1 Os3 Os2 60.10(2) . . ?
O31 C31 Os3 175.6(7) . . ?
O32 C32 Os3 176.1(7) . . ?
O33 C33 Os3 176.8(9) . . ?
O34 C34 Os3 178.3(8) . . ?
C5 P1 C101 101.0(3) . . ?
C5 P1 P2 94.6(2) . . ?
C101 P1 P2 104.3(2) . . ?
C102 C101 C106 117.5(7) . . ?
C102 C101 P1 126.8(5) . . ?
C106 C101 P1 115.6(6) . . ?
C101 C102 C103 121.5(8) . . ?
C104 C103 C102 119.8(9) . . ?
C105 C104 C103 120.7(8) . . ?
C104 C105 C106 120.9(8) . . ?
C105 C106 C101 119.5(8) . . ?
C201 P2 P3 104.6(2) . . ?
C201 P2 P1 103.4(2) . . ?
P3 P2 P1 92.61(8) . . ?
C201 P2 Os1 114.5(2) . . ?
P3 P2 Os1 122.94(8) . . ?
P1 P2 Os1 115.35(8) . . ?
C202 C201 C206 117.5(6) . . ?
C202 C201 P2 123.1(5) . . ?
C206 C201 P2 119.2(5) . . ?
C201 C202 C203 120.5(7) . . ?
C204 C203 C202 121.5(7) . . ?
C203 C204 C205 119.2(7) . . ?
C206 C205 C204 119.5(7) . . ?
C205 C206 C201 121.7(7) . . ?
C301 P3 C4 107.5(3) . . ?
C301 P3 P2 105.3(2) . . ?
C4 P3 P2 94.4(2) . . ?
C306 C301 C302 117.4(6) . . ?
C306 C301 P3 127.7(5) . . ?
C302 C301 P3 114.9(6) . . ?
C301 C302 C303 119.5(8) . . ?
C304 C303 C302 121.7(7) . . ?
C303 C304 C305 119.2(7) . . ?
C304 C305 C306 120.5(8) . . ?
C301 C306 C305 121.7(7) . . ?
C5 C4 C401 122.9(5) . . ?
C5 C4 P3 118.6(5) . . ?
C401 C4 P3 117.8(4) . . ?
C406 C401 C402 118.4(6) . . ?
C406 C401 C4 121.3(6) . . ?
C402 C401 C4 120.3(6) . . ?
C403 C402 C401 120.8(8) . . ?
C404 C403 C402 120.2(8) . . ?
C405 C404 C403 120.1(7) . . ?
C404 C405 C406 121.4(8) . . ?
C401 C406 C405 119.0(7) . . ?
C4 C5 C501 125.0(5) . . ?
C4 C5 P1 122.8(5) . . ?
C501 C5 P1 112.0(4) . . ?
C506 C501 C502 118.5(6) . . ?
C506 C501 C5 119.8(6) . . ?
C502 C501 C5 121.6(6) . . ?
C501 C502 C503 120.8(7) . . ?
C504 C503 C502 120.0(8) . . ?
C503 C504 C505 119.5(7) . . ?
C504 C505 C506 120.6(8) . . ?
C501 C506 C505 120.7(7) . . ?
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
Os1 C11 1.885(7) . ?
Os1 C12 1.924(7) . ?
Os1 C13 1.938(7) . ?
Os1 P2 2.366(2) . ?
Os1 Os3 2.8834(8) . ?
Os1 Os2 2.9029(6) . ?
C11 O11 1.158(8) . ?
C12 O12 1.155(8) . ?
C13 O13 1.145(8) . ?
Os2 C21 1.907(9) . ?
Os2 C24 1.920(7) . ?
Os2 C23 1.934(8) . ?
Os2 C22 1.940(8) . ?
Os2 Os3 2.9132(6) . ?
C21 O21 1.144(9) . ?
C22 O22 1.148(8) . ?
C23 O23 1.141(8) . ?
C24 O24 1.148(8) . ?
Os3 C34 1.915(8) . ?
Os3 C33 1.920(9) . ?
Os3 C31 1.938(8) . ?
Os3 C32 1.947(8) . ?
C31 O31 1.130(9) . ?
C32 O32 1.134(8) . ?
C33 O33 1.137(10) . ?
C34 O34 1.136(9) . ?
P1 C5 1.822(6) . ?
P1 C101 1.840(7) . ?
P1 P2 2.247(2) . ?
C101 C102 1.373(9) . ?
C101 C106 1.411(10) . ?
C102 C103 1.383(10) . ?
C103 C104 1.366(13) . ?
C104 C105 1.331(13) . ?
C105 C106 1.401(11) . ?
P2 C201 1.820(6) . ?
P2 P3 2.217(2) . ?
C201 C202 1.373(9) . ?
C201 C206 1.396(9) . ?
C202 C203 1.376(10) . ?
C203 C204 1.362(11) . ?
C204 C205 1.375(11) . ?
C205 C206 1.374(10) . ?
P3 C301 1.837(7) . ?
P3 C4 1.842(6) . ?
C301 C306 1.366(9) . ?
C301 C302 1.397(9) . ?
C302 C303 1.397(11) . ?
C303 C304 1.348(12) . ?
C304 C305 1.349(11) . ?
C305 C306 1.393(9) . ?
C4 C5 1.342(7) . ?
C4 C401 1.499(8) . ?
C401 C406 1.385(9) . ?
C401 C402 1.411(9) . ?
C402 C403 1.366(10) . ?
C403 C404 1.362(12) . ?
C404 C405 1.362(12) . ?
C405 C406 1.394(10) . ?
C5 C501 1.510(8) . ?
C501 C506 1.371(9) . ?
C501 C502 1.384(9) . ?
C502 C503 1.392(10) . ?
C503 C504 1.370(12) . ?
C504 C505 1.370(12) . ?
C505 C506 1.387(10) . ?
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
C12 Os1 C11 O11 95.1(44) . . . . ?
C13 Os1 C11 O11 -89.7(44) . . . . ?
P2 Os1 C11 O11 -177.3(43) . . . . ?
Os3 Os1 C11 O11 0.2(44) . . . . ?
Os2 Os1 C11 O11 1.7(47) . . . . ?
C11 Os1 C12 O12 30.7(58) . . . . ?
C13 Os1 C12 O12 -53.4(76) . . . . ?
P2 Os1 C12 O12 -76.8(58) . . . . ?
Os3 Os1 C12 O12 120.4(58) . . . . ?
Os2 Os1 C12 O12 -179.0(1000) . . . . ?
C11 Os1 C13 O13 -46.8(55) . . . . ?
C12 Os1 C13 O13 37.2(76) . . . . ?
P2 Os1 C13 O13 60.6(55) . . . . ?
Os3 Os1 C13 O13 -136.7(55) . . . . ?
Os2 Os1 C13 O13 162.9(55) . . . . ?
C11 Os1 Os2 C21 2.2(7) . . . . ?
C12 Os1 Os2 C21 -90.2(5) . . . . ?
C13 Os1 Os2 C21 93.7(5) . . . . ?
P2 Os1 Os2 C21 -178.9(5) . . . . ?
Os3 Os1 Os2 C21 3.9(5) . . . . ?
C11 Os1 Os2 C24 179.9(5) . . . . ?
C12 Os1 Os2 C24 87.6(3) . . . . ?
C13 Os1 Os2 C24 -88.6(3) . . . . ?
P2 Os1 Os2 C24 -1.1(2) . . . . ?
Os3 Os1 Os2 C24 -178.4(2) . . . . ?
C11 Os1 Os2 C23 -91.2(5) . . . . ?
C12 Os1 Os2 C23 176.5(3) . . . . ?
C13 Os1 Os2 C23 0.4(3) . . . . ?
P2 Os1 Os2 C23 87.8(2) . . . . ?
Os3 Os1 Os2 C23 -89.4(2) . . . . ?
C11 Os1 Os2 C22 91.4(5) . . . . ?
C12 Os1 Os2 C22 -1.0(3) . . . . ?
C13 Os1 Os2 C22 -177.1(3) . . . . ?
P2 Os1 Os2 C22 -89.6(2) . . . . ?
Os3 Os1 Os2 C22 93.1(2) . . . . ?
C11 Os1 Os2 Os3 -1.7(4) . . . . ?
C12 Os1 Os2 Os3 -94.1(2) . . . . ?
C13 Os1 Os2 Os3 89.8(2) . . . . ?
P2 Os1 Os2 Os3 177.27(4) . . . . ?
Os3 Os1 Os2 Os3 0.0 . . . . ?
C24 Os2 C21 O21 151.8(154) . . . . ?
C23 Os2 C21 O21 61.9(154) . . . . ?
C22 Os2 C21 O21 -117.7(154) . . . . ?
Os1 Os2 C21 O21 -30.4(158) . . . . ?
Os3 Os2 C21 O21 -27.1(154) . . . . ?
C21 Os2 C22 O22 -66.0(87) . . . . ?
C24 Os2 C22 O22 33.3(87) . . . . ?
C23 Os2 C22 O22 117.3(81) . . . . ?
Os1 Os2 C22 O22 141.0(87) . . . . ?
Os3 Os2 C22 O22 -159.7(87) . . . . ?
C21 Os2 C23 O23 76.2(58) . . . . ?
C24 Os2 C23 O23 -23.1(58) . . . . ?
C22 Os2 C23 O23 -107.1(57) . . . . ?
Os1 Os2 C23 O23 -130.7(58) . . . . ?
Os3 Os2 C23 O23 169.8(58) . . . . ?
C21 Os2 C24 O24 -50.1(102) . . . . ?
C23 Os2 C24 O24 42.6(102) . . . . ?
C22 Os2 C24 O24 -143.7(102) . . . . ?
Os1 Os2 C24 O24 131.0(101) . . . . ?
Os3 Os2 C24 O24 124.8(97) . . . . ?
C11 Os1 Os3 C34 0.5(3) . . . . ?
C12 Os1 Os3 C34 -88.4(3) . . . . ?
C13 Os1 Os3 C34 91.1(3) . . . . ?
P2 Os1 Os3 C34 172.4(3) . . . . ?
Os2 Os1 Os3 C34 -178.7(2) . . . . ?
C11 Os1 Os3 C33 175.1(7) . . . . ?
C12 Os1 Os3 C33 86.3(7) . . . . ?
C13 Os1 Os3 C33 -94.2(7) . . . . ?
P2 Os1 Os3 C33 -12.9(7) . . . . ?
Os2 Os1 Os3 C33 -4.0(7) . . . . ?
C11 Os1 Os3 C31 88.6(3) . . . . ?
C12 Os1 Os3 C31 -0.3(3) . . . . ?
C13 Os1 Os3 C31 179.2(3) . . . . ?
P2 Os1 Os3 C31 -99.5(3) . . . . ?
Os2 Os1 Os3 C31 -90.6(2) . . . . ?
C11 Os1 Os3 C32 -90.6(3) . . . . ?
C12 Os1 Os3 C32 -179.4(3) . . . . ?
C13 Os1 Os3 C32 0.1(3) . . . . ?
P2 Os1 Os3 C32 81.3(2) . . . . ?
Os2 Os1 Os3 C32 90.3(2) . . . . ?
C11 Os1 Os3 Os2 179.2(2) . . . . ?
C12 Os1 Os3 Os2 90.3(2) . . . . ?
C13 Os1 Os3 Os2 -90.2(2) . . . . ?
P2 Os1 Os3 Os2 -8.92(12) . . . . ?
Os2 Os1 Os3 Os2 0.0 . . . . ?
C21 Os2 Os3 C34 -173.9(8) . . . . ?
C24 Os2 Os3 C34 11.1(12) . . . . ?
C23 Os2 Os3 C34 93.4(8) . . . . ?
C22 Os2 Os3 C34 -80.3(8) . . . . ?
Os1 Os2 Os3 C34 4.3(8) . . . . ?
C21 Os2 Os3 C33 0.1(4) . . . . ?
C24 Os2 Os3 C33 -174.9(10) . . . . ?
C23 Os2 Os3 C33 -92.6(4) . . . . ?
C22 Os2 Os3 C33 93.7(4) . . . . ?
Os1 Os2 Os3 C33 178.3(3) . . . . ?
C21 Os2 Os3 C31 -92.3(3) . . . . ?
C24 Os2 Os3 C31 92.8(10) . . . . ?
C23 Os2 Os3 C31 175.1(3) . . . . ?
C22 Os2 Os3 C31 1.4(3) . . . . ?
Os1 Os2 Os3 C31 86.0(3) . . . . ?
C21 Os2 Os3 C32 92.0(3) . . . . ?
C24 Os2 Os3 C32 -82.9(9) . . . . ?
C23 Os2 Os3 C32 -0.7(3) . . . . ?
C22 Os2 Os3 C32 -174.4(3) . . . . ?
Os1 Os2 Os3 C32 -89.8(2) . . . . ?
C21 Os2 Os3 Os1 -178.2(2) . . . . ?
C24 Os2 Os3 Os1 6.8(9) . . . . ?
C23 Os2 Os3 Os1 89.1(2) . . . . ?
C22 Os2 Os3 Os1 -84.6(2) . . . . ?
Os1 Os2 Os3 Os1 0.0 . . . . ?
C34 Os3 C31 O31 -46.5(111) . . . . ?
C33 Os3 C31 O31 55.8(111) . . . . ?
C32 Os3 C31 O31 -138.3(96) . . . . ?
Os1 Os3 C31 O31 -149.2(111) . . . . ?
Os2 Os3 C31 O31 150.6(111) . . . . ?
C34 Os3 C32 O32 19.3(97) . . . . ?
C33 Os3 C32 O32 -83.0(97) . . . . ?
C31 Os3 C32 O32 111.1(97) . . . . ?
Os1 Os3 C32 O32 122.0(97) . . . . ?
Os2 Os3 C32 O32 -177.9(97) . . . . ?
C34 Os3 C33 O33 105.3(149) . . . . ?
C31 Os3 C33 O33 15.7(149) . . . . ?
C32 Os3 C33 O33 -163.2(149) . . . . ?
Os1 Os3 C33 O33 -69.4(152) . . . . ?
Os2 Os3 C33 O33 -72.9(149) . . . . ?
C33 Os3 C34 O34 12.9(249) . . . . ?
C31 Os3 C34 O34 105.2(248) . . . . ?
C32 Os3 C34 O34 -79.3(248) . . . . ?
Os1 Os3 C34 O34 -169.4(248) . . . . ?
Os2 Os3 C34 O34 -173.2(241) . . . . ?
C5 P1 C101 C102 19.4(7) . . . . ?
P2 P1 C101 C102 -78.3(6) . . . . ?
C5 P1 C101 C106 -158.1(5) . . . . ?
P2 P1 C101 C106 104.3(5) . . . . ?
C106 C101 C102 C103 -1.9(11) . . . . ?
P1 C101 C102 C103 -179.3(6) . . . . ?
C101 C102 C103 C104 -0.1(12) . . . . ?
C102 C103 C104 C105 2.8(14) . . . . ?
C103 C104 C105 C106 -3.3(15) . . . . ?
C104 C105 C106 C101 1.1(13) . . . . ?
C102 C101 C106 C105 1.5(11) . . . . ?
P1 C101 C106 C105 179.2(6) . . . . ?
C5 P1 P2 C201 -137.2(3) . . . . ?
C101 P1 P2 C201 -34.6(3) . . . . ?
C5 P1 P2 P3 -31.5(2) . . . . ?
C101 P1 P2 P3 71.0(2) . . . . ?
C5 P1 P2 Os1 97.1(2) . . . . ?
C101 P1 P2 Os1 -160.4(2) . . . . ?
C11 Os1 P2 C201 102.5(3) . . . . ?
C12 Os1 P2 C201 -169.3(3) . . . . ?
C13 Os1 P2 C201 12.6(3) . . . . ?
Os3 Os1 P2 C201 -69.0(3) . . . . ?
Os2 Os1 P2 C201 -77.0(2) . . . . ?
C11 Os1 P2 P3 -26.1(2) . . . . ?
C12 Os1 P2 P3 62.0(2) . . . . ?
C13 Os1 P2 P3 -116.1(2) . . . . ?
Os3 Os1 P2 P3 162.32(8) . . . . ?
Os2 Os1 P2 P3 154.38(8) . . . . ?
C11 Os1 P2 P1 -137.7(2) . . . . ?
C12 Os1 P2 P1 -49.5(2) . . . . ?
C13 Os1 P2 P1 132.4(2) . . . . ?
Os3 Os1 P2 P1 50.8(2) . . . . ?
Os2 Os1 P2 P1 42.84(8) . . . . ?
P3 P2 C201 C202 32.9(6) . . . . ?
P1 P2 C201 C202 129.2(5) . . . . ?
Os1 P2 C201 C202 -104.5(6) . . . . ?
P3 P2 C201 C206 -152.4(5) . . . . ?
P1 P2 C201 C206 -56.1(6) . . . . ?
Os1 P2 C201 C206 70.2(6) . . . . ?
C206 C201 C202 C203 0.9(11) . . . . ?
P2 C201 C202 C203 175.7(6) . . . . ?
C201 C202 C203 C204 0.9(13) . . . . ?
C202 C203 C204 C205 -2.2(14) . . . . ?
C203 C204 C205 C206 1.6(14) . . . . ?
C204 C205 C206 C201 0.3(13) . . . . ?
C202 C201 C206 C205 -1.5(11) . . . . ?
P2 C201 C206 C205 -176.5(6) . . . . ?
C201 P2 P3 C301 -110.4(3) . . . . ?
P1 P2 P3 C301 145.1(2) . . . . ?
Os1 P2 P3 C301 22.4(2) . . . . ?
C201 P2 P3 C4 140.2(3) . . . . ?
P1 P2 P3 C4 35.6(2) . . . . ?
Os1 P2 P3 C4 -87.1(2) . . . . ?
C4 P3 C301 C306 13.7(7) . . . . ?
P2 P3 C301 C306 -86.1(6) . . . . ?
C4 P3 C301 C302 -164.6(6) . . . . ?
P2 P3 C301 C302 95.6(6) . . . . ?
C306 C301 C302 C303 1.6(12) . . . . ?
P3 C301 C302 C303 -179.8(7) . . . . ?
C301 C302 C303 C304 -2.3(15) . . . . ?
C302 C303 C304 C305 0.6(16) . . . . ?
C303 C304 C305 C306 1.6(14) . . . . ?
C302 C301 C306 C305 0.5(11) . . . . ?
P3 C301 C306 C305 -177.8(6) . . . . ?
C304 C305 C306 C301 -2.2(12) . . . . ?
C301 P3 C4 C5 -141.7(5) . . . . ?
P2 P3 C4 C5 -34.1(5) . . . . ?
C301 P3 C4 C401 47.5(5) . . . . ?
P2 P3 C4 C401 155.0(4) . . . . ?
C5 C4 C401 C406 42.9(9) . . . . ?
P3 C4 C401 C406 -146.6(5) . . . . ?
C5 C4 C401 C402 -137.6(7) . . . . ?
P3 C4 C401 C402 32.8(8) . . . . ?
C406 C401 C402 C403 -1.2(10) . . . . ?
C4 C401 C402 C403 179.4(6) . . . . ?
C401 C402 C403 C404 0.1(12) . . . . ?
C402 C403 C404 C405 -0.4(13) . . . . ?
C403 C404 C405 C406 1.8(13) . . . . ?
C402 C401 C406 C405 2.4(10) . . . . ?
C4 C401 C406 C405 -178.1(6) . . . . ?
C404 C405 C406 C401 -2.8(12) . . . . ?
C401 C4 C5 C501 7.1(10) . . . . ?
P3 C4 C5 C501 -163.2(5) . . . . ?
C401 C4 C5 P1 -178.5(5) . . . . ?
P3 C4 C5 P1 11.1(7) . . . . ?
C101 P1 C5 C4 -87.1(6) . . . . ?
P2 P1 C5 C4 18.4(5) . . . . ?
C101 P1 C5 C501 87.9(5) . . . . ?
P2 P1 C5 C501 -166.6(4) . . . . ?
C4 C5 C501 C506 -124.6(7) . . . . ?
P1 C5 C501 C506 60.6(7) . . . . ?
C4 C5 C501 C502 61.0(9) . . . . ?
P1 C5 C501 C502 -113.9(6) . . . . ?
C506 C501 C502 C503 1.1(11) . . . . ?
C5 C501 C502 C503 175.6(7) . . . . ?
C501 C502 C503 C504 0.4(14) . . . . ?
C502 C503 C504 C505 -0.5(15) . . . . ?
C503 C504 C505 C506 -1.0(14) . . . . ?
C502 C501 C506 C505 -2.7(11) . . . . ?
C5 C501 C506 C505 -177.3(6) . . . . ?
C504 C505 C506 C501 2.7(12) . . . . ?
