#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:37:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179799 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/95/7009587.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_7009587
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            'C41 H25 O9 Os3 P3'
_chemical_formula_weight         1325.12
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 102.984(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.366(3)
_cell_length_b                   19.244(3)
_cell_length_c                   16.430(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4118.0(12)
_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  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0385
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26240
_diffrn_reflns_theta_max         29.41
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    9.404
_exptl_absorpt_correction_type   Semiempirical
_exptl_crystal_colour            'Light yellow'
_exptl_crystal_density_diffrn    2.137
_exptl_crystal_description       'Rectangular block'
_exptl_crystal_F_000             2464
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.802
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       0.00078(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.900
_refine_ls_goodness_of_fit_obs   0.877
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         10247
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.900
_refine_ls_restrained_S_obs      0.877
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_obs          0.0275
_refine_ls_shift/esd_max         1.036
_refine_ls_shift/esd_mean        0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0309P)²+9.0321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0667
_refine_ls_wR_factor_obs         0.0576
_reflns_number_observed          8139
_reflns_number_total             10247
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b002140g.txt
_cod_data_source_block           cluster6
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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^)+(0.0309P)^2^+9.0321P] 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^)+(0.0309P)^2^+9.0321P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4118.0(11)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7009587
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Os1 Os -0.617970(13) -0.284596(9) 0.161450(10) 0.02859(5) Uani 1 d . .
C11 C -0.7090(4) -0.2098(3) 0.1129(3) 0.0414(12) Uani 1 d . .
O11 O -0.7603(3) -0.1646(2) 0.0872(3) 0.0715(13) Uani 1 d . .
C12 C -0.7246(4) -0.3556(3) 0.1457(3) 0.0430(12) Uani 1 d . .
O12 O -0.7857(4) -0.3968(3) 0.1393(3) 0.082(2) Uani 1 d . .
C13 C -0.5713(4) -0.3085(3) 0.0621(3) 0.0455(12) Uani 1 d . .
O13 O -0.5399(4) -0.3223(3) 0.0055(3) 0.0761(14) Uani 1 d . .
Os2 Os -0.351340(14) -0.284067(10) 0.304142(12) 0.03367(6) Uani 1 d . .
C21 C -0.3030(4) -0.2117(3) 0.3848(4) 0.0500(14) Uani 1 d . .
O21 O -0.2793(4) -0.1691(3) 0.4332(3) 0.085(2) Uani 1 d . .
C22 C -0.2713(4) -0.2855(3) 0.2226(4) 0.056(2) Uani 1 d . .
O22 O -0.2218(4) -0.2899(3) 0.1743(4) 0.096(2) Uani 1 d . .
C23 C -0.2633(4) -0.3538(3) 0.3668(4) 0.0526(14) Uani 1 d . .
O23 O -0.2084(4) -0.3943(3) 0.4032(3) 0.083(2) Uani 1 d . .
Os3 Os -0.511112(15) -0.335246(10) 0.388252(11) 0.03368(6) Uani 1 d . .
C31 C -0.4846(5) -0.2786(3) 0.4881(4) 0.059(2) Uani 1 d . .
O31 O -0.4676(5) -0.2459(3) 0.5470(3) 0.104(2) Uani 1 d . .
C32 C -0.4227(5) -0.4083(3) 0.4422(4) 0.0515(14) Uani 1 d . .
O32 O -0.3769(4) -0.4546(2) 0.4747(3) 0.0788(15) Uani 1 d . .
C33 C -0.6259(5) -0.3901(3) 0.3969(4) 0.0491(13) Uani 1 d . .
O33 O -0.6932(4) -0.4253(3) 0.3986(4) 0.0807(15) Uani 1 d . .
P1 P -0.47459(9) -0.20731(6) 0.21354(7) 0.0283(2) Uani 1 d . .
C101 C -0.4267(3) -0.1570(2) 0.1358(3) 0.0325(10) Uani 1 d . .
C102 C -0.3255(4) -0.1358(3) 0.1501(4) 0.0466(13) Uani 1 d . .
H10A H -0.2787(4) -0.1514(3) 0.1973(4) 0.056 Uiso 1 calc R .
C103 C -0.2924(5) -0.0911(3) 0.0939(4) 0.059(2) Uani 1 d . .
H10B H -0.2241(5) -0.0771(3) 0.1044(4) 0.071 Uiso 1 calc R .
C104 C -0.3596(5) -0.0681(3) 0.0245(4) 0.0547(15) Uani 1 d . .
H10C H -0.3374(5) -0.0384(3) -0.0125(4) 0.066 Uiso 1 calc R .
C105 C -0.4606(5) -0.0889(3) 0.0090(4) 0.0509(14) Uani 1 d . .
H10D H -0.5068(5) -0.0733(3) -0.0385(4) 0.061 Uiso 1 calc R .
C106 C -0.4937(4) -0.1330(3) 0.0640(3) 0.0413(11) Uani 1 d . .
H10E H -0.5621(4) -0.1468(3) 0.0527(3) 0.050 Uiso 1 calc R .
P2 P -0.49172(9) -0.35892(6) 0.25164(8) 0.0317(3) Uani 1 d . .
C201 C -0.4710(4) -0.4473(3) 0.2185(3) 0.0389(11) Uani 1 d . .
C202 C -0.4970(5) -0.5040(3) 0.2620(4) 0.0552(15) Uani 1 d . .
H20A H -0.5277(5) -0.4971(3) 0.3068(4) 0.066 Uiso 1 calc R .
C203 C -0.4772(6) -0.5714(3) 0.2383(5) 0.074(2) Uani 1 d . .
H20B H -0.4936(6) -0.6091(3) 0.2682(5) 0.089 Uiso 1 calc R .
C204 C -0.4343(5) -0.5824(3) 0.1723(5) 0.071(2) Uani 1 d . .
H20C H -0.4215(5) -0.6275(3) 0.1570(5) 0.085 Uiso 1 calc R .
C205 C -0.4099(5) -0.5277(4) 0.1283(5) 0.072(2) Uani 1 d . .
H20D H -0.3809(5) -0.5355(4) 0.0826(5) 0.086 Uiso 1 calc R .
C206 C -0.4281(5) -0.4594(3) 0.1514(4) 0.060(2) Uani 1 d . .
H20E H -0.4111(5) -0.4222(3) 0.1211(4) 0.072 Uiso 1 calc R .
P3 P -0.63153(9) -0.25520(6) 0.30205(7) 0.0282(2) Uani 1 d . .
C301 C -0.7604(4) -0.2586(2) 0.3226(3) 0.0331(10) Uani 1 d . .
C302 C -0.7714(4) -0.2606(3) 0.4054(3) 0.0455(12) Uani 1 d . .
H30A H -0.7137(4) -0.2622(3) 0.4492(3) 0.055 Uiso 1 calc R .
C303 C -0.8688(5) -0.2602(3) 0.4219(4) 0.0528(15) Uani 1 d . .
H30B H -0.8762(5) -0.2605(3) 0.4768(4) 0.063 Uiso 1 calc R .
C304 C -0.9530(5) -0.2595(3) 0.3580(4) 0.054(2) Uani 1 d . .
H30C H -1.0180(5) -0.2606(3) 0.3696(4) 0.065 Uiso 1 calc R .
C305 C -0.9440(4) -0.2571(3) 0.2762(4) 0.0483(13) Uani 1 d . .
H30D H -1.0024(4) -0.2560(3) 0.2329(4) 0.058 Uiso 1 calc R .
C306 C -0.8472(4) -0.2563(2) 0.2589(3) 0.0372(11) Uani 1 d . .
H30E H -0.8407(4) -0.2543(2) 0.2038(3) 0.045 Uiso 1 calc R .
C4 C -0.5980(3) -0.1619(2) 0.3130(3) 0.0313(9) Uani 1 d . .
C401 C -0.6355(4) -0.1189(2) 0.3752(3) 0.0351(10) Uani 1 d . .
C402 C -0.7371(4) -0.0961(3) 0.3627(4) 0.0488(13) Uani 1 d . .
H40A H -0.7837(4) -0.1079(3) 0.3136(4) 0.059 Uiso 1 calc R .
C403 C -0.7691(5) -0.0569(3) 0.4213(5) 0.066(2) Uani 1 d . .
H40B H -0.8370(5) -0.0421(3) 0.4116(5) 0.079 Uiso 1 calc R .
C404 C -0.7018(6) -0.0390(4) 0.4945(5) 0.077(2) Uani 1 d . .
H40C H -0.7243(6) -0.0129(4) 0.5346(5) 0.092 Uiso 1 calc R .
C405 C -0.6010(6) -0.0601(4) 0.5083(4) 0.071(2) Uani 1 d . .
H40D H -0.5550(6) -0.0478(4) 0.5576(4) 0.085 Uiso 1 calc R .
C406 C -0.5676(4) -0.0995(3) 0.4487(3) 0.0501(14) Uani 1 d . .
H40E H -0.4992(4) -0.1130(3) 0.4580(3) 0.060 Uiso 1 calc R .
C5 C -0.5294(3) -0.1394(2) 0.2708(3) 0.0317(10) Uani 1 d . .
C501 C -0.4986(4) -0.0658(2) 0.2656(3) 0.0339(10) Uani 1 d . .
C502 C -0.3987(4) -0.0435(3) 0.2882(3) 0.0441(12) Uani 1 d . .
H50A H -0.3473(4) -0.0750(3) 0.3113(3) 0.053 Uiso 1 calc R .
C503 C -0.3730(5) 0.0254(3) 0.2771(4) 0.056(2) Uani 1 d . .
H50B H -0.3047(5) 0.0394(3) 0.2916(4) 0.067 Uiso 1 calc R .
C504 C -0.4477(5) 0.0720(3) 0.2452(4) 0.056(2) Uani 1 d . .
H50C H -0.4305(5) 0.1182(3) 0.2386(4) 0.068 Uiso 1 calc R .
C505 C -0.5482(5) 0.0513(3) 0.2227(4) 0.057(2) Uani 1 d . .
H50D H -0.5991(5) 0.0834(3) 0.2006(4) 0.069 Uiso 1 calc R .
C506 C -0.5739(4) -0.0170(3) 0.2330(4) 0.0464(13) Uani 1 d . .
H50E H -0.6423(4) -0.0307(3) 0.2179(4) 0.056 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
C13 Os1 C11 96.9(2) . . ?
C13 Os1 C12 94.9(2) . . ?
C11 Os1 C12 95.4(2) . . ?
C13 Os1 P3 165.8(2) . . ?
C11 Os1 P3 92.6(2) . . ?
C12 Os1 P3 94.7(2) . . ?
C13 Os1 P1 93.7(2) . . ?
C11 Os1 P1 93.6(2) . . ?
C12 Os1 P1 166.7(2) . . ?
P3 Os1 P1 75.10(4) . . ?
C13 Os1 P2 93.6(2) . . ?
C11 Os1 P2 165.8(2) . . ?
C12 Os1 P2 93.2(2) . . ?
P3 Os1 P2 75.40(4) . . ?
P1 Os1 P2 76.20(4) . . ?
O11 C11 Os1 177.3(5) . . ?
O12 C12 Os1 177.7(5) . . ?
O13 C13 Os1 177.2(5) . . ?
C22 Os2 C23 89.7(3) . . ?
C22 Os2 C21 109.9(3) . . ?
C23 Os2 C21 93.8(2) . . ?
C22 Os2 P2 105.1(2) . . ?
C23 Os2 P2 96.3(2) . . ?
C21 Os2 P2 143.5(2) . . ?
C22 Os2 P1 89.3(2) . . ?
C23 Os2 P1 172.8(2) . . ?
C21 Os2 P1 93.3(2) . . ?
P2 Os2 P1 77.06(4) . . ?
C22 Os2 Os3 155.1(2) . . ?
C23 Os2 Os3 86.4(2) . . ?
C21 Os2 Os3 94.9(2) . . ?
P2 Os2 Os3 51.12(3) . . ?
P1 Os2 Os3 91.55(3) . . ?
O21 C21 Os2 176.6(6) . . ?
O22 C22 Os2 176.4(6) . . ?
O23 C23 Os2 177.7(6) . . ?
C33 Os3 C32 89.0(2) . . ?
C33 Os3 C31 104.3(3) . . ?
C32 Os3 C31 92.6(2) . . ?
C33 Os3 P2 103.2(2) . . ?
C32 Os3 P2 96.3(2) . . ?
C31 Os3 P2 151.2(2) . . ?
C33 Os3 P3 87.5(2) . . ?
C32 Os3 P3 171.1(2) . . ?
C31 Os3 P3 96.2(2) . . ?
P2 Os3 P3 76.64(4) . . ?
C33 Os3 Os2 154.4(2) . . ?
C32 Os3 Os2 91.4(2) . . ?
C31 Os3 Os2 101.2(2) . . ?
P2 Os3 Os2 51.37(3) . . ?
P3 Os3 Os2 88.28(3) . . ?
O31 C31 Os3 178.9(6) . . ?
O32 C32 Os3 174.5(6) . . ?
O33 C33 Os3 176.0(6) . . ?
C101 P1 C5 102.8(2) . . ?
C101 P1 Os1 116.8(2) . . ?
C5 P1 Os1 103.89(15) . . ?
C101 P1 Os2 116.8(2) . . ?
C5 P1 Os2 113.86(15) . . ?
Os1 P1 Os2 102.41(4) . . ?
C106 C101 C102 117.7(5) . . ?
C106 C101 P1 120.6(4) . . ?
C102 C101 P1 121.4(4) . . ?
C101 C102 C103 120.7(5) . . ?
C104 C103 C102 120.4(5) . . ?
C103 C104 C105 119.7(5) . . ?
C104 C105 C106 120.2(5) . . ?
C101 C106 C105 121.3(5) . . ?
C201 P2 Os3 121.3(2) . . ?
C201 P2 Os2 120.9(2) . . ?
Os3 P2 Os2 77.51(4) . . ?
C201 P2 Os1 119.7(2) . . ?
Os3 P2 Os1 104.79(5) . . ?
Os2 P2 Os1 104.34(5) . . ?
C206 C201 C202 118.5(5) . . ?
C206 C201 P2 121.1(4) . . ?
C202 C201 P2 120.4(4) . . ?
C201 C202 C203 120.0(6) . . ?
C204 C203 C202 120.7(7) . . ?
C205 C204 C203 120.1(6) . . ?
C204 C205 C206 120.3(6) . . ?
C201 C206 C205 120.4(6) . . ?
C301 P3 C4 103.5(2) . . ?
C301 P3 Os1 116.3(2) . . ?
C4 P3 Os1 104.55(15) . . ?
C301 P3 Os3 113.4(2) . . ?
C4 P3 Os3 116.29(14) . . ?
Os1 P3 Os3 103.01(4) . . ?
C306 C301 C302 119.0(5) . . ?
C306 C301 P3 121.7(4) . . ?
C302 C301 P3 119.2(4) . . ?
C303 C302 C301 119.8(5) . . ?
C304 C303 C302 120.1(5) . . ?
C303 C304 C305 121.1(5) . . ?
C306 C305 C304 119.4(5) . . ?
C301 C306 C305 120.7(5) . . ?
C5 C4 C401 123.5(4) . . ?
C5 C4 P3 116.2(3) . . ?
C401 C4 P3 119.7(3) . . ?
C406 C401 C402 117.9(5) . . ?
C406 C401 C4 119.4(4) . . ?
C402 C401 C4 122.7(4) . . ?
C403 C402 C401 121.2(6) . . ?
C402 C403 C404 120.5(6) . . ?
C403 C404 C405 119.6(6) . . ?
C406 C405 C404 120.2(6) . . ?
C401 C406 C405 120.6(6) . . ?
C4 C5 C501 124.7(4) . . ?
C4 C5 P1 115.5(3) . . ?
C501 C5 P1 119.8(3) . . ?
C502 C501 C506 117.9(5) . . ?
C502 C501 C5 123.3(4) . . ?
C506 C501 C5 118.7(4) . . ?
C501 C502 C503 121.1(5) . . ?
C504 C503 C502 119.9(5) . . ?
C503 C504 C505 120.2(5) . . ?
C504 C505 C506 120.0(5) . . ?
C501 C506 C505 120.8(5) . . ?
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 C13 1.930(5) . ?
Os1 C11 1.937(5) . ?
Os1 C12 1.949(5) . ?
Os1 P3 2.4244(12) . ?
Os1 P1 2.4248(12) . ?
Os1 P2 2.4424(12) . ?
C11 O11 1.130(6) . ?
C12 O12 1.127(6) . ?
C13 O13 1.134(6) . ?
Os2 C22 1.892(6) . ?
Os2 C23 1.924(6) . ?
Os2 C21 1.930(6) . ?
Os2 P2 2.3690(13) . ?
Os2 P1 2.4514(12) . ?
Os2 Os3 2.9608(5) . ?
C21 O21 1.137(7) . ?
C22 O22 1.146(7) . ?
C23 O23 1.143(7) . ?
Os3 C33 1.894(6) . ?
Os3 C32 1.921(6) . ?
Os3 C31 1.935(6) . ?
Os3 P2 2.3610(13) . ?
Os3 P3 2.4382(12) . ?
C31 O31 1.133(7) . ?
C32 O32 1.142(7) . ?
C33 O33 1.132(7) . ?
P1 C101 1.829(5) . ?
P1 C5 1.854(5) . ?
C101 C106 1.390(7) . ?
C101 C102 1.382(7) . ?
C102 C103 1.403(8) . ?
C103 C104 1.358(9) . ?
C104 C105 1.377(8) . ?
C105 C106 1.381(7) . ?
P2 C201 1.825(5) . ?
C201 C206 1.372(8) . ?
C201 C202 1.391(8) . ?
C202 C203 1.396(9) . ?
C203 C204 1.352(10) . ?
C204 C205 1.356(10) . ?
C205 C206 1.406(8) . ?
P3 C301 1.830(5) . ?
P3 C4 1.850(5) . ?
C301 C306 1.377(7) . ?
C301 C302 1.402(7) . ?
C302 C303 1.386(7) . ?
C303 C304 1.356(8) . ?
C304 C305 1.376(9) . ?
C305 C306 1.386(7) . ?
C4 C5 1.339(6) . ?
C4 C401 1.487(6) . ?
C401 C406 1.388(7) . ?
C401 C402 1.397(7) . ?
C402 C403 1.366(8) . ?
C403 C404 1.374(10) . ?
C404 C405 1.377(10) . ?
C405 C406 1.389(8) . ?
C5 C501 1.483(6) . ?
C501 C502 1.372(7) . ?
C501 C506 1.393(7) . ?
C502 C503 1.392(7) . ?
C503 C504 1.357(8) . ?
C504 C505 1.370(8) . ?
C505 C506 1.379(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
C13 Os1 C11 O11 -131.4(106) . . . . ?
C12 Os1 C11 O11 133.0(106) . . . . ?
P3 Os1 C11 O11 38.0(107) . . . . ?
P1 Os1 C11 O11 -37.2(107) . . . . ?
P2 Os1 C11 O11 6.4(112) . . . . ?
C13 Os1 C12 O12 148.0(131) . . . . ?
C11 Os1 C12 O12 -114.5(131) . . . . ?
P3 Os1 C12 O12 -21.5(131) . . . . ?
P1 Os1 C12 O12 17.7(136) . . . . ?
P2 Os1 C12 O12 54.1(131) . . . . ?
C11 Os1 C13 O13 129.9(117) . . . . ?
C12 Os1 C13 O13 -134.1(117) . . . . ?
P3 Os1 C13 O13 -1.7(123) . . . . ?
P1 Os1 C13 O13 35.8(117) . . . . ?
P2 Os1 C13 O13 -40.6(117) . . . . ?
C22 Os2 C21 O21 156.8(85) . . . . ?
C23 Os2 C21 O21 -112.2(86) . . . . ?
P2 Os2 C21 O21 -6.3(88) . . . . ?
P1 Os2 C21 O21 66.3(86) . . . . ?
Os3 Os2 C21 O21 -25.6(86) . . . . ?
C23 Os2 C22 O22 30.4(102) . . . . ?
C21 Os2 C22 O22 124.3(102) . . . . ?
P2 Os2 C22 O22 -66.0(102) . . . . ?
P1 Os2 C22 O22 -142.4(102) . . . . ?
Os3 Os2 C22 O22 -50.2(104) . . . . ?
C22 Os2 C23 O23 34.1(144) . . . . ?
C21 Os2 C23 O23 -75.9(144) . . . . ?
P2 Os2 C23 O23 139.3(144) . . . . ?
P1 Os2 C23 O23 116.1(139) . . . . ?
Os3 Os2 C23 O23 -170.5(144) . . . . ?
C22 Os2 Os3 C33 -13.5(6) . . . . ?
C23 Os2 Os3 C33 -94.8(4) . . . . ?
C21 Os2 Os3 C33 171.7(4) . . . . ?
P2 Os2 Os3 C33 6.3(4) . . . . ?
P1 Os2 Os3 C33 78.2(4) . . . . ?
C22 Os2 Os3 C32 77.1(5) . . . . ?
C23 Os2 Os3 C32 -4.2(2) . . . . ?
C21 Os2 Os3 C32 -97.7(2) . . . . ?
P2 Os2 Os3 C32 96.9(2) . . . . ?
P1 Os2 Os3 C32 168.9(2) . . . . ?
C22 Os2 Os3 C31 170.0(4) . . . . ?
C23 Os2 Os3 C31 88.7(2) . . . . ?
C21 Os2 Os3 C31 -4.7(2) . . . . ?
P2 Os2 Os3 C31 -170.2(2) . . . . ?
P1 Os2 Os3 C31 -98.2(2) . . . . ?
C22 Os2 Os3 P2 -19.8(4) . . . . ?
C23 Os2 Os3 P2 -101.1(2) . . . . ?
C21 Os2 Os3 P2 165.4(2) . . . . ?
P2 Os2 Os3 P2 0.0 . . . . ?
P1 Os2 Os3 P2 71.96(5) . . . . ?
C22 Os2 Os3 P3 -94.0(4) . . . . ?
C23 Os2 Os3 P3 -175.3(2) . . . . ?
C21 Os2 Os3 P3 91.2(2) . . . . ?
P2 Os2 Os3 P3 -74.21(5) . . . . ?
P1 Os2 Os3 P3 -2.25(4) . . . . ?
C33 Os3 C31 O31 117.7(364) . . . . ?
C32 Os3 C31 O31 28.1(364) . . . . ?
P2 Os3 C31 O31 -79.9(364) . . . . ?
P3 Os3 C31 O31 -153.3(364) . . . . ?
Os2 Os3 C31 O31 -63.8(364) . . . . ?
C33 Os3 C32 O32 -1.8(59) . . . . ?
C31 Os3 C32 O32 102.5(59) . . . . ?
P2 Os3 C32 O32 -105.0(59) . . . . ?
P3 Os3 C32 O32 -68.3(64) . . . . ?
Os2 Os3 C32 O32 -156.3(59) . . . . ?
C32 Os3 C33 O33 -71.6(70) . . . . ?
C31 Os3 C33 O33 -164.0(70) . . . . ?
P2 Os3 C33 O33 24.7(71) . . . . ?
P3 Os3 C33 O33 100.3(70) . . . . ?
Os2 Os3 C33 O33 19.6(73) . . . . ?
C13 Os1 P1 C101 35.6(2) . . . . ?
C11 Os1 P1 C101 -61.6(2) . . . . ?
C12 Os1 P1 C101 166.0(7) . . . . ?
P3 Os1 P1 C101 -153.3(2) . . . . ?
P2 Os1 P1 C101 128.4(2) . . . . ?
C13 Os1 P1 C5 148.0(2) . . . . ?
C11 Os1 P1 C5 50.8(2) . . . . ?
C12 Os1 P1 C5 -81.6(7) . . . . ?
P3 Os1 P1 C5 -40.91(15) . . . . ?
P2 Os1 P1 C5 -119.2(2) . . . . ?
C13 Os1 P1 Os2 -93.3(2) . . . . ?
C11 Os1 P1 Os2 169.5(2) . . . . ?
C12 Os1 P1 Os2 37.2(7) . . . . ?
P3 Os1 P1 Os2 77.84(4) . . . . ?
P2 Os1 P1 Os2 -0.44(4) . . . . ?
C22 Os2 P1 C101 -22.8(3) . . . . ?
C23 Os2 P1 C101 -104.8(15) . . . . ?
C21 Os2 P1 C101 87.2(3) . . . . ?
P2 Os2 P1 C101 -128.4(2) . . . . ?
Os3 Os2 P1 C101 -177.9(2) . . . . ?
C22 Os2 P1 C5 -142.4(3) . . . . ?
C23 Os2 P1 C5 135.5(15) . . . . ?
C21 Os2 P1 C5 -32.5(3) . . . . ?
P2 Os2 P1 C5 111.9(2) . . . . ?
Os3 Os2 P1 C5 62.5(2) . . . . ?
C22 Os2 P1 Os1 106.1(2) . . . . ?
C23 Os2 P1 Os1 24.1(15) . . . . ?
C21 Os2 P1 Os1 -143.9(2) . . . . ?
P2 Os2 P1 Os1 0.45(4) . . . . ?
Os3 Os2 P1 Os1 -48.98(4) . . . . ?
C5 P1 C101 C106 -78.4(4) . . . . ?
Os1 P1 C101 C106 34.6(4) . . . . ?
Os2 P1 C101 C106 156.2(3) . . . . ?
C5 P1 C101 C102 95.1(4) . . . . ?
Os1 P1 C101 C102 -151.9(4) . . . . ?
Os2 P1 C101 C102 -30.3(5) . . . . ?
C106 C101 C102 C103 0.6(8) . . . . ?
P1 C101 C102 C103 -173.1(4) . . . . ?
C101 C102 C103 C104 -0.2(9) . . . . ?
C102 C103 C104 C105 -0.1(10) . . . . ?
C103 C104 C105 C106 0.1(9) . . . . ?
C102 C101 C106 C105 -0.6(8) . . . . ?
P1 C101 C106 C105 173.2(4) . . . . ?
C104 C105 C106 C101 0.3(9) . . . . ?
C33 Os3 P2 C201 -58.4(2) . . . . ?
C32 Os3 P2 C201 32.0(3) . . . . ?
C31 Os3 P2 C201 139.1(4) . . . . ?
P3 Os3 P2 C201 -142.6(2) . . . . ?
Os2 Os3 P2 C201 118.8(2) . . . . ?
C33 Os3 P2 Os2 -177.2(2) . . . . ?
C32 Os3 P2 Os2 -86.8(2) . . . . ?
C31 Os3 P2 Os2 20.4(4) . . . . ?
P3 Os3 P2 Os2 98.65(4) . . . . ?
Os2 Os3 P2 Os2 0.0 . . . . ?
C33 Os3 P2 Os1 81.0(2) . . . . ?
C32 Os3 P2 Os1 171.5(2) . . . . ?
C31 Os3 P2 Os1 -81.4(4) . . . . ?
P3 Os3 P2 Os1 -3.11(4) . . . . ?
Os2 Os3 P2 Os1 -101.76(5) . . . . ?
C22 Os2 P2 C201 52.3(3) . . . . ?
C23 Os2 P2 C201 -39.0(3) . . . . ?
C21 Os2 P2 C201 -144.1(3) . . . . ?
P1 Os2 P2 C201 138.1(2) . . . . ?
Os3 Os2 P2 C201 -119.2(2) . . . . ?
C22 Os2 P2 Os3 171.5(2) . . . . ?
C23 Os2 P2 Os3 80.2(2) . . . . ?
C21 Os2 P2 Os3 -25.0(3) . . . . ?
P1 Os2 P2 Os3 -102.76(4) . . . . ?
Os3 Os2 P2 Os3 0.0 . . . . ?
C22 Os2 P2 Os1 -86.2(2) . . . . ?
C23 Os2 P2 Os1 -177.5(2) . . . . ?
C21 Os2 P2 Os1 77.4(3) . . . . ?
P1 Os2 P2 Os1 -0.45(4) . . . . ?
Os3 Os2 P2 Os1 102.31(5) . . . . ?
C13 Os1 P2 C201 -45.8(3) . . . . ?
C11 Os1 P2 C201 176.2(7) . . . . ?
C12 Os1 P2 C201 49.4(2) . . . . ?
P3 Os1 P2 C201 143.4(2) . . . . ?
P1 Os1 P2 C201 -138.7(2) . . . . ?
C13 Os1 P2 Os3 174.0(2) . . . . ?
C11 Os1 P2 Os3 35.9(6) . . . . ?
C12 Os1 P2 Os3 -90.9(2) . . . . ?
P3 Os1 P2 Os3 3.14(4) . . . . ?
P1 Os1 P2 Os3 81.05(5) . . . . ?
C13 Os1 P2 Os2 93.4(2) . . . . ?
C11 Os1 P2 Os2 -44.7(6) . . . . ?
C12 Os1 P2 Os2 -171.5(2) . . . . ?
P3 Os1 P2 Os2 -77.45(5) . . . . ?
P1 Os1 P2 Os2 0.45(4) . . . . ?
Os3 P2 C201 C206 -159.1(4) . . . . ?
Os2 P2 C201 C206 -65.1(5) . . . . ?
Os1 P2 C201 C206 67.3(5) . . . . ?
Os3 P2 C201 C202 19.9(5) . . . . ?
Os2 P2 C201 C202 113.9(4) . . . . ?
Os1 P2 C201 C202 -113.8(4) . . . . ?
C206 C201 C202 C203 1.5(9) . . . . ?
P2 C201 C202 C203 -177.5(5) . . . . ?
C201 C202 C203 C204 -1.2(10) . . . . ?
C202 C203 C204 C205 0.1(11) . . . . ?
C203 C204 C205 C206 0.6(11) . . . . ?
C202 C201 C206 C205 -0.9(9) . . . . ?
P2 C201 C206 C205 178.1(5) . . . . ?
C204 C205 C206 C201 -0.2(11) . . . . ?
C13 Os1 P3 C301 -168.0(7) . . . . ?
C11 Os1 P3 C301 60.0(2) . . . . ?
C12 Os1 P3 C301 -35.6(2) . . . . ?
P1 Os1 P3 C301 153.1(2) . . . . ?
P2 Os1 P3 C301 -127.6(2) . . . . ?
C13 Os1 P3 C4 78.6(7) . . . . ?
C11 Os1 P3 C4 -53.4(2) . . . . ?
C12 Os1 P3 C4 -149.0(2) . . . . ?
P1 Os1 P3 C4 39.66(15) . . . . ?
P2 Os1 P3 C4 119.0(2) . . . . ?
C13 Os1 P3 Os3 -43.4(7) . . . . ?
C11 Os1 P3 Os3 -175.4(2) . . . . ?
C12 Os1 P3 Os3 89.0(2) . . . . ?
P1 Os1 P3 Os3 -82.31(5) . . . . ?
P2 Os1 P3 Os3 -3.02(4) . . . . ?
C33 Os3 P3 C301 25.4(3) . . . . ?
C32 Os3 P3 C301 91.9(12) . . . . ?
C31 Os3 P3 C301 -78.8(3) . . . . ?
P2 Os3 P3 C301 129.6(2) . . . . ?
Os2 Os3 P3 C301 -179.8(2) . . . . ?
C33 Os3 P3 C4 145.2(2) . . . . ?
C32 Os3 P3 C4 -148.2(12) . . . . ?
C31 Os3 P3 C4 41.1(3) . . . . ?
P2 Os3 P3 C4 -110.6(2) . . . . ?
Os2 Os3 P3 C4 -60.0(2) . . . . ?
C33 Os3 P3 Os1 -101.1(2) . . . . ?
C32 Os3 P3 Os1 -34.6(12) . . . . ?
C31 Os3 P3 Os1 154.8(2) . . . . ?
P2 Os3 P3 Os1 3.11(4) . . . . ?
Os2 Os3 P3 Os1 53.70(4) . . . . ?
C4 P3 C301 C306 94.5(4) . . . . ?
Os1 P3 C301 C306 -19.5(4) . . . . ?
Os3 P3 C301 C306 -138.6(3) . . . . ?
C4 P3 C301 C302 -82.8(4) . . . . ?
Os1 P3 C301 C302 163.2(3) . . . . ?
Os3 P3 C301 C302 44.1(4) . . . . ?
C306 C301 C302 C303 -0.1(8) . . . . ?
P3 C301 C302 C303 177.3(4) . . . . ?
C301 C302 C303 C304 1.5(8) . . . . ?
C302 C303 C304 C305 -1.9(9) . . . . ?
C303 C304 C305 C306 0.8(9) . . . . ?
C302 C301 C306 C305 -1.0(7) . . . . ?
P3 C301 C306 C305 -178.2(4) . . . . ?
C304 C305 C306 C301 0.6(8) . . . . ?
C301 P3 C4 C5 -154.3(4) . . . . ?
Os1 P3 C4 C5 -32.1(4) . . . . ?
Os3 P3 C4 C5 80.7(4) . . . . ?
C301 P3 C4 C401 34.0(4) . . . . ?
Os1 P3 C4 C401 156.2(3) . . . . ?
Os3 P3 C4 C401 -91.0(4) . . . . ?
C5 C4 C401 C406 -65.8(7) . . . . ?
P3 C4 C401 C406 105.2(5) . . . . ?
C5 C4 C401 C402 113.5(6) . . . . ?
P3 C4 C401 C402 -75.5(6) . . . . ?
C406 C401 C402 C403 -1.0(9) . . . . ?
C4 C401 C402 C403 179.7(5) . . . . ?
C401 C402 C403 C404 -0.3(10) . . . . ?
C402 C403 C404 C405 1.0(12) . . . . ?
C403 C404 C405 C406 -0.4(12) . . . . ?
C402 C401 C406 C405 1.5(9) . . . . ?
C4 C401 C406 C405 -179.2(6) . . . . ?
C404 C405 C406 C401 -0.8(11) . . . . ?
C401 C4 C5 C501 -14.0(7) . . . . ?
P3 C4 C5 C501 174.7(3) . . . . ?
C401 C4 C5 P1 167.9(4) . . . . ?
P3 C4 C5 P1 -3.3(5) . . . . ?
C101 P1 C5 C4 159.5(4) . . . . ?
Os1 P1 C5 C4 37.3(4) . . . . ?
Os2 P1 C5 C4 -73.3(4) . . . . ?
C101 P1 C5 C501 -18.7(4) . . . . ?
Os1 P1 C5 C501 -140.9(3) . . . . ?
Os2 P1 C5 C501 108.5(3) . . . . ?
C4 C5 C501 C502 124.2(6) . . . . ?
P1 C5 C501 C502 -57.8(6) . . . . ?
C4 C5 C501 C506 -58.5(7) . . . . ?
P1 C5 C501 C506 119.5(5) . . . . ?
C506 C501 C502 C503 -1.5(8) . . . . ?
C5 C501 C502 C503 175.9(5) . . . . ?
C501 C502 C503 C504 1.5(9) . . . . ?
C502 C503 C504 C505 -1.0(10) . . . . ?
C503 C504 C505 C506 0.4(10) . . . . ?
C502 C501 C506 C505 0.9(8) . . . . ?
C5 C501 C506 C505 -176.5(5) . . . . ?
C504 C505 C506 C501 -0.4(10) . . . . ?
