#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:37:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179799 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/95/7009583.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_7009583
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            'C42 H25 O10 Os3 P3'
_chemical_formula_weight         1353.13
_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                 90.030(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.195(2)
_cell_length_b                   18.653(2)
_cell_length_c                   18.832(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4283.8(10)
_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  0.0425
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            27323
_diffrn_reflns_theta_max         29.28
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    9.044
_exptl_absorpt_correction_type   semiempirical
_exptl_crystal_density_diffrn    2.098
_exptl_crystal_F_000             2520
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.964
_refine_diff_density_min         -1.242
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.023
_refine_ls_goodness_of_fit_obs   1.038
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         10546
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_restrained_S_obs      1.038
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_obs          0.0322
_refine_ls_shift/esd_max         0.004
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0355P)²+4.4892P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0809
_refine_ls_wR_factor_obs         0.0727
_reflns_number_observed          8371
_reflns_number_total             10546
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b002140g.txt
_cod_data_source_block           cluster2
_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^)+(0.0355P)^2^+4.4892P] 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^)+(0.0355P)^2^+4.4892P] 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      P2(1)/n
_cod_database_code               7009583
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 0.03800(2) 0.601410(10) 0.244255(10) 0.03377(6) Uani 1 d . .
C11 C 0.0627(6) 0.5343(3) 0.3167(3) 0.0534(15) Uani 1 d . .
O11 O 0.0776(5) 0.4938(3) 0.3614(3) 0.089(2) Uani 1 d . .
C12 C 0.1653(5) 0.6526(3) 0.2789(3) 0.0487(14) Uani 1 d . .
O12 O 0.2400(4) 0.6799(3) 0.3038(3) 0.0743(14) Uani 1 d . .
C13 C -0.0825(5) 0.5419(3) 0.2088(3) 0.0432(12) Uani 1 d . .
O13 O -0.1525(4) 0.5063(2) 0.1936(3) 0.0620(12) Uani 1 d . .
Os2 Os 0.17233(2) 0.559605(11) 0.126017(11) 0.03884(6) Uani 1 d . .
C21 C 0.0518(5) 0.5003(3) 0.0925(3) 0.0418(12) Uani 1 d . .
O21 O -0.0122(4) 0.4622(2) 0.0707(2) 0.0534(10) Uani 1 d . .
C22 C 0.2381(6) 0.5510(4) 0.0346(4) 0.063(2) Uani 1 d . .
O22 O 0.2788(5) 0.5442(4) -0.0195(3) 0.108(2) Uani 1 d . .
C23 C 0.2906(5) 0.6240(3) 0.1543(3) 0.0522(15) Uani 1 d . .
O23 O 0.3653(4) 0.6564(3) 0.1674(3) 0.0699(13) Uani 1 d . .
C24 C 0.2311(5) 0.4823(3) 0.1806(4) 0.0512(14) Uani 1 d . .
O24 O 0.2617(4) 0.4367(3) 0.2159(3) 0.079(2) Uani 1 d . .
Os3 Os 0.03831(2) 0.685892(11) 0.115553(10) 0.03504(6) Uani 1 d . .
C31 C -0.0757(5) 0.6264(3) 0.0744(3) 0.0444(13) Uani 1 d . .
O31 O -0.1444(4) 0.5954(2) 0.0474(2) 0.0600(11) Uani 1 d . .
C32 C 0.0781(7) 0.7181(4) 0.0247(3) 0.076(2) Uani 1 d . .
O32 O 0.1061(8) 0.7374(4) -0.0300(3) 0.145(3) Uani 1 d . .
C33 C 0.1505(5) 0.7453(3) 0.1581(3) 0.0475(13) Uani 1 d . .
O33 O 0.2135(4) 0.7846(2) 0.1805(3) 0.0688(13) Uani 1 d . .
P1 P -0.09300(11) 0.67846(7) 0.29271(7) 0.0337(3) Uani 1 d . .
C101 C -0.1518(5) 0.6483(3) 0.3765(3) 0.0460(13) Uani 1 d . .
C102 C -0.2608(6) 0.6290(4) 0.3827(4) 0.065(2) Uani 1 d . .
H10A H -0.3075(6) 0.6332(4) 0.3438(4) 0.078 Uiso 1 calc R .
C103 C -0.3010(8) 0.6033(5) 0.4475(5) 0.090(3) Uani 1 d . .
H10B H -0.3742(8) 0.5900(5) 0.4517(5) 0.108 Uiso 1 calc R .
C104 C -0.2322(9) 0.5979(5) 0.5042(4) 0.093(3) Uani 1 d . .
H10C H -0.2591(9) 0.5818(5) 0.5476(4) 0.112 Uiso 1 calc R .
C105 C -0.1249(9) 0.6157(4) 0.4982(4) 0.080(2) Uani 1 d . .
H10D H -0.0788(9) 0.6118(4) 0.5374(4) 0.096 Uiso 1 calc R .
C106 C -0.0842(7) 0.6396(4) 0.4346(3) 0.064(2) Uani 1 d . .
H10E H -0.0099(7) 0.6501(4) 0.4306(3) 0.077 Uiso 1 calc R .
P2 P -0.22190(11) 0.68863(7) 0.21092(7) 0.0367(3) Uani 1 d . .
C201 C -0.3289(5) 0.7499(3) 0.2408(3) 0.0463(13) Uani 1 d . .
C202 C -0.4176(5) 0.7563(4) 0.1930(4) 0.067(2) Uani 1 d . .
H20A H -0.4193(5) 0.7288(4) 0.1519(4) 0.080 Uiso 1 calc R .
C203 C -0.5013(6) 0.8033(5) 0.2075(6) 0.090(3) Uani 1 d . .
H20B H -0.5578(6) 0.8090(5) 0.1749(6) 0.108 Uiso 1 calc R .
C204 C -0.5028(8) 0.8417(5) 0.2692(6) 0.099(3) Uani 1 d . .
H20C H -0.5610(8) 0.8725(5) 0.2790(6) 0.118 Uiso 1 calc R .
C205 C -0.4170(8) 0.8347(4) 0.3173(5) 0.090(3) Uani 1 d . .
H20D H -0.4180(8) 0.8607(4) 0.3594(5) 0.108 Uiso 1 calc R .
C206 C -0.3308(6) 0.7896(3) 0.3032(4) 0.059(2) Uani 1 d . .
H20E H -0.2734(6) 0.7857(3) 0.3355(4) 0.071 Uiso 1 calc R .
P3 P -0.09843(11) 0.76058(7) 0.16128(6) 0.0338(3) Uani 1 d . .
C301 C -0.1779(5) 0.8208(3) 0.1048(3) 0.0462(13) Uani 1 d . .
C302 C -0.2408(5) 0.8763(3) 0.1327(4) 0.054(2) Uani 1 d . .
H30A H -0.2412(5) 0.8841(3) 0.1815(4) 0.065 Uiso 1 calc R .
C303 C -0.3027(7) 0.9200(4) 0.0889(5) 0.078(2) Uani 1 d . .
H30B H -0.3438(7) 0.9574(4) 0.1079(5) 0.094 Uiso 1 calc R .
C304 C -0.3029(9) 0.9075(5) 0.0167(5) 0.102(3) Uani 1 d . .
H30C H -0.3439(9) 0.9367(5) -0.0132(5) 0.123 Uiso 1 calc R .
C305 C -0.2436(10) 0.8528(5) -0.0105(5) 0.118(4) Uani 1 d . .
H30D H -0.2451(10) 0.8446(5) -0.0592(5) 0.142 Uiso 1 calc R .
C306 C -0.1802(8) 0.8087(4) 0.0328(4) 0.079(2) Uani 1 d . .
H30E H -0.1398(8) 0.7713(4) 0.0132(4) 0.094 Uiso 1 calc R .
C4 C -0.0584(4) 0.8123(3) 0.2411(3) 0.0356(11) Uani 1 d . .
C401 C -0.0300(5) 0.8897(3) 0.2327(3) 0.0416(12) Uani 1 d . .
C402 C -0.0661(6) 0.9392(3) 0.2834(4) 0.058(2) Uani 1 d . .
H40A H -0.1041(6) 0.9234(3) 0.3232(4) 0.069 Uiso 1 calc R .
C403 C -0.0454(7) 1.0115(4) 0.2743(5) 0.076(2) Uani 1 d . .
H40B H -0.0696(7) 1.0438(4) 0.3085(5) 0.091 Uiso 1 calc R .
C404 C 0.0100(7) 1.0367(4) 0.2160(5) 0.082(3) Uani 1 d . .
H40C H 0.0230(7) 1.0855(4) 0.2105(5) 0.099 Uiso 1 calc R .
C405 C 0.0462(7) 0.9884(4) 0.1657(4) 0.072(2) Uani 1 d . .
H40D H 0.0848(7) 1.0046(4) 0.1263(4) 0.086 Uiso 1 calc R .
C406 C 0.0250(5) 0.9151(3) 0.1739(3) 0.055(2) Uani 1 d . .
H40E H 0.0483(5) 0.8831(3) 0.1392(3) 0.066 Uiso 1 calc R .
C5 C -0.0527(4) 0.7743(3) 0.3014(3) 0.0373(11) Uani 1 d . .
C501 C -0.0016(5) 0.7999(3) 0.3692(3) 0.0419(12) Uani 1 d . .
C502 C -0.0624(6) 0.8070(4) 0.4311(3) 0.062(2) Uani 1 d . .
H50A H -0.1365(6) 0.7953(4) 0.4315(3) 0.075 Uiso 1 calc R .
C503 C -0.0113(8) 0.8317(5) 0.4924(4) 0.078(2) Uani 1 d . .
H50B H -0.0521(8) 0.8374(5) 0.5338(4) 0.094 Uiso 1 calc R .
C504 C 0.0983(8) 0.8478(4) 0.4928(4) 0.081(2) Uani 1 d . .
H50C H 0.1318(8) 0.8635(4) 0.5343(4) 0.097 Uiso 1 calc R .
C505 C 0.1579(7) 0.8406(4) 0.4324(4) 0.072(2) Uani 1 d . .
H50D H 0.2324(7) 0.8513(4) 0.4328(4) 0.086 Uiso 1 calc R .
C506 C 0.1089(6) 0.8176(3) 0.3703(3) 0.055(2) Uani 1 d . .
H50E H 0.1502(6) 0.8140(3) 0.3290(3) 0.067 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 87.5(3) . . ?
C11 Os1 C13 89.4(3) . . ?
C12 Os1 C13 174.8(2) . . ?
C11 Os1 P1 103.7(2) . . ?
C12 Os1 P1 96.5(2) . . ?
C13 Os1 P1 88.2(2) . . ?
C11 Os1 Os2 106.9(2) . . ?
C12 Os1 Os2 86.4(2) . . ?
C13 Os1 Os2 90.6(2) . . ?
P1 Os1 Os2 149.37(3) . . ?
C11 Os1 Os3 166.7(2) . . ?
C12 Os1 Os3 90.7(2) . . ?
C13 Os1 Os3 91.4(2) . . ?
P1 Os1 Os3 89.62(3) . . ?
Os2 Os1 Os3 59.814(10) . . ?
O11 C11 Os1 179.4(6) . . ?
O12 C12 Os1 175.0(5) . . ?
O13 C13 Os1 174.9(5) . . ?
C22 Os2 C24 105.3(3) . . ?
C22 Os2 C21 88.7(2) . . ?
C24 Os2 C21 91.6(2) . . ?
C22 Os2 C23 89.3(3) . . ?
C24 Os2 C23 92.3(3) . . ?
C21 Os2 C23 175.9(2) . . ?
C22 Os2 Os1 164.4(3) . . ?
C24 Os2 Os1 90.1(2) . . ?
C21 Os2 Os1 88.5(2) . . ?
C23 Os2 Os1 92.5(2) . . ?
C22 Os2 Os3 104.3(2) . . ?
C24 Os2 Os3 150.3(2) . . ?
C21 Os2 Os3 90.8(2) . . ?
C23 Os2 Os3 86.3(2) . . ?
Os1 Os2 Os3 60.406(9) . . ?
O21 C21 Os2 174.4(5) . . ?
O22 C22 Os2 178.1(8) . . ?
O23 C23 Os2 173.2(6) . . ?
O24 C24 Os2 176.2(6) . . ?
C32 Os3 C33 90.6(3) . . ?
C32 Os3 C31 90.2(3) . . ?
C33 Os3 C31 179.0(2) . . ?
C32 Os3 P3 109.3(3) . . ?
C33 Os3 P3 90.6(2) . . ?
C31 Os3 P3 88.7(2) . . ?
C32 Os3 Os2 100.2(3) . . ?
C33 Os3 Os2 92.3(2) . . ?
C31 Os3 Os2 88.1(2) . . ?
P3 Os3 Os2 150.34(3) . . ?
C32 Os3 Os1 159.9(3) . . ?
C33 Os3 Os1 88.1(2) . . ?
C31 Os3 Os1 91.3(2) . . ?
P3 Os3 Os1 90.85(3) . . ?
Os2 Os3 Os1 59.780(10) . . ?
O31 C31 Os3 175.3(5) . . ?
O32 C32 Os3 177.6(9) . . ?
O33 C33 Os3 174.9(5) . . ?
C101 P1 C5 108.9(2) . . ?
C101 P1 P2 110.5(2) . . ?
C5 P1 P2 99.6(2) . . ?
C101 P1 Os1 114.7(2) . . ?
C5 P1 Os1 116.4(2) . . ?
P2 P1 Os1 105.50(6) . . ?
C106 C101 C102 118.5(6) . . ?
C106 C101 P1 119.2(5) . . ?
C102 C101 P1 122.2(5) . . ?
C101 C102 C103 120.0(8) . . ?
C104 C103 C102 119.6(8) . . ?
C105 C104 C103 120.7(7) . . ?
C104 C105 C106 120.2(8) . . ?
C105 C106 C101 120.9(8) . . ?
C201 P2 P1 110.3(2) . . ?
C201 P2 P3 103.6(2) . . ?
P1 P2 P3 82.13(7) . . ?
C206 C201 C202 118.7(6) . . ?
C206 C201 P2 127.4(5) . . ?
C202 C201 P2 113.8(5) . . ?
C203 C202 C201 119.8(7) . . ?
C204 C203 C202 121.0(8) . . ?
C203 C204 C205 119.6(7) . . ?
C206 C205 C204 120.6(8) . . ?
C205 C206 C201 120.2(7) . . ?
C301 P3 C4 107.0(2) . . ?
C301 P3 P2 104.9(2) . . ?
C4 P3 P2 98.7(2) . . ?
C301 P3 Os3 122.0(2) . . ?
C4 P3 Os3 114.9(2) . . ?
P2 P3 Os3 106.18(6) . . ?
C306 C301 C302 119.0(6) . . ?
C306 C301 P3 119.0(5) . . ?
C302 C301 P3 122.0(4) . . ?
C303 C302 C301 120.9(7) . . ?
C304 C303 C302 119.2(8) . . ?
C305 C304 C303 120.1(7) . . ?
C304 C305 C306 121.3(8) . . ?
C301 C306 C305 119.4(8) . . ?
C5 C4 C401 126.1(4) . . ?
C5 C4 P3 115.2(4) . . ?
C401 C4 P3 118.7(4) . . ?
C406 C401 C402 118.4(5) . . ?
C406 C401 C4 121.9(5) . . ?
C402 C401 C4 119.6(5) . . ?
C403 C402 C401 120.1(7) . . ?
C404 C403 C402 121.5(7) . . ?
C403 C404 C405 118.9(7) . . ?
C404 C405 C406 120.2(7) . . ?
C401 C406 C405 120.9(7) . . ?
C4 C5 C501 125.1(5) . . ?
C4 C5 P1 114.8(4) . . ?
C501 C5 P1 119.4(4) . . ?
C502 C501 C506 118.9(5) . . ?
C502 C501 C5 121.6(6) . . ?
C506 C501 C5 119.5(5) . . ?
C501 C502 C503 119.3(7) . . ?
C504 C503 C502 120.8(7) . . ?
C505 C504 C503 119.9(7) . . ?
C504 C505 C506 120.6(7) . . ?
C505 C506 C501 120.4(6) . . ?
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 1.876(6) . ?
Os1 C12 1.936(6) . ?
Os1 C13 1.959(6) . ?
Os1 P1 2.3350(13) . ?
Os1 Os2 2.8728(5) . ?
Os1 Os3 2.8909(4) . ?
C11 O11 1.145(7) . ?
C12 O12 1.144(7) . ?
C13 O13 1.118(7) . ?
Os2 C22 1.907(6) . ?
Os2 C24 1.911(7) . ?
Os2 C21 1.944(6) . ?
Os2 C23 1.950(6) . ?
Os2 Os3 2.8738(4) . ?
C21 O21 1.133(6) . ?
C22 O22 1.139(7) . ?
C23 O23 1.121(7) . ?
C24 O24 1.141(7) . ?
Os3 C32 1.877(6) . ?
Os3 C33 1.934(6) . ?
Os3 C31 1.940(6) . ?
Os3 P3 2.3376(14) . ?
C31 O31 1.138(7) . ?
C32 O32 1.143(8) . ?
C33 O33 1.143(7) . ?
P1 C101 1.823(5) . ?
P1 C5 1.861(5) . ?
P1 P2 2.208(2) . ?
C101 C106 1.380(9) . ?
C101 C102 1.382(9) . ?
C102 C103 1.400(10) . ?
C103 C104 1.362(13) . ?
C104 C105 1.354(13) . ?
C105 C106 1.371(9) . ?
P2 C201 1.824(6) . ?
P2 P3 2.223(2) . ?
C201 C206 1.389(8) . ?
C201 C202 1.412(9) . ?
C202 C203 1.373(10) . ?
C203 C204 1.365(13) . ?
C204 C205 1.390(13) . ?
C205 C206 1.372(10) . ?
P3 C301 1.826(5) . ?
P3 C4 1.851(5) . ?
C301 C306 1.374(8) . ?
C301 C302 1.392(9) . ?
C302 C303 1.385(9) . ?
C303 C304 1.378(12) . ?
C304 C305 1.352(14) . ?
C305 C306 1.393(10) . ?
C4 C5 1.341(7) . ?
C4 C401 1.493(7) . ?
C401 C406 1.380(9) . ?
C401 C402 1.397(8) . ?
C402 C403 1.384(9) . ?
C403 C404 1.372(12) . ?
C404 C405 1.380(12) . ?
C405 C406 1.399(9) . ?
C5 C501 1.498(7) . ?
C501 C502 1.387(8) . ?
C501 C506 1.388(9) . ?
C502 C503 1.392(9) . ?
C503 C504 1.369(12) . ?
C504 C505 1.357(11) . ?
C505 C506 1.380(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
C12 Os1 C11 O11 66.9(626) . . . . ?
C13 Os1 C11 O11 -117.1(626) . . . . ?
P1 Os1 C11 O11 -29.1(627) . . . . ?
Os2 Os1 C11 O11 152.4(626) . . . . ?
Os3 Os1 C11 O11 149.2(619) . . . . ?
C11 Os1 C12 O12 -15.3(66) . . . . ?
C13 Os1 C12 O12 -67.8(76) . . . . ?
P1 Os1 C12 O12 88.2(66) . . . . ?
Os2 Os1 C12 O12 -122.4(66) . . . . ?
Os3 Os1 C12 O12 177.9(1000) . . . . ?
C11 Os1 C13 O13 30.8(57) . . . . ?
C12 Os1 C13 O13 83.2(64) . . . . ?
P1 Os1 C13 O13 -72.9(57) . . . . ?
Os2 Os1 C13 O13 137.7(57) . . . . ?
Os3 Os1 C13 O13 -162.4(57) . . . . ?
C11 Os1 Os2 C22 169.1(7) . . . . ?
C12 Os1 Os2 C22 -104.7(7) . . . . ?
C13 Os1 Os2 C22 79.5(7) . . . . ?
P1 Os1 Os2 C22 -8.0(7) . . . . ?
Os3 Os1 Os2 C22 -11.8(7) . . . . ?
C11 Os1 Os2 C24 -2.5(3) . . . . ?
C12 Os1 Os2 C24 83.7(2) . . . . ?
C13 Os1 Os2 C24 -92.1(2) . . . . ?
P1 Os1 Os2 C24 -179.6(2) . . . . ?
Os3 Os1 Os2 C24 176.6(2) . . . . ?
C11 Os1 Os2 C21 89.1(3) . . . . ?
C12 Os1 Os2 C21 175.3(2) . . . . ?
C13 Os1 Os2 C21 -0.4(2) . . . . ?
P1 Os1 Os2 C21 -87.9(2) . . . . ?
Os3 Os1 Os2 C21 -91.8(2) . . . . ?
C11 Os1 Os2 C23 -94.9(3) . . . . ?
C12 Os1 Os2 C23 -8.6(3) . . . . ?
C13 Os1 Os2 C23 175.6(3) . . . . ?
P1 Os1 Os2 C23 88.1(2) . . . . ?
Os3 Os1 Os2 C23 84.3(2) . . . . ?
C11 Os1 Os2 Os3 -179.1(2) . . . . ?
C12 Os1 Os2 Os3 -92.9(2) . . . . ?
C13 Os1 Os2 Os3 91.3(2) . . . . ?
P1 Os1 Os2 Os3 3.84(7) . . . . ?
Os3 Os1 Os2 Os3 0.0 . . . . ?
C22 Os2 C21 O21 46.2(48) . . . . ?
C24 Os2 C21 O21 -59.2(48) . . . . ?
C23 Os2 C21 O21 106.3(55) . . . . ?
Os1 Os2 C21 O21 -149.2(48) . . . . ?
Os3 Os2 C21 O21 150.4(48) . . . . ?
C24 Os2 C22 O22 3.4(187) . . . . ?
C21 Os2 C22 O22 -88.0(186) . . . . ?
C23 Os2 C22 O22 95.6(186) . . . . ?
Os1 Os2 C22 O22 -167.9(181) . . . . ?
Os3 Os2 C22 O22 -178.5(1000) . . . . ?
C22 Os2 C23 O23 -43.5(51) . . . . ?
C24 Os2 C23 O23 61.9(51) . . . . ?
C21 Os2 C23 O23 -103.6(58) . . . . ?
Os1 Os2 C23 O23 152.1(50) . . . . ?
Os3 Os2 C23 O23 -147.8(51) . . . . ?
C22 Os2 C24 O24 -164.4(81) . . . . ?
C21 Os2 C24 O24 -75.3(82) . . . . ?
C23 Os2 C24 O24 105.7(82) . . . . ?
Os1 Os2 C24 O24 13.2(82) . . . . ?
Os3 Os2 C24 O24 19.2(84) . . . . ?
C22 Os2 Os3 C32 -5.7(3) . . . . ?
C24 Os2 Os3 C32 170.6(4) . . . . ?
C21 Os2 Os3 C32 -94.6(3) . . . . ?
C23 Os2 Os3 C32 82.5(3) . . . . ?
Os1 Os2 Os3 C32 177.5(2) . . . . ?
C22 Os2 Os3 C33 -96.8(3) . . . . ?
C24 Os2 Os3 C33 79.6(4) . . . . ?
C21 Os2 Os3 C33 174.3(2) . . . . ?
C23 Os2 Os3 C33 -8.5(2) . . . . ?
Os1 Os2 Os3 C33 86.5(2) . . . . ?
C22 Os2 Os3 C31 84.2(3) . . . . ?
C24 Os2 Os3 C31 -99.5(4) . . . . ?
C21 Os2 Os3 C31 -4.7(2) . . . . ?
C23 Os2 Os3 C31 172.4(2) . . . . ?
Os1 Os2 Os3 C31 -92.6(2) . . . . ?
C22 Os2 Os3 P3 168.0(2) . . . . ?
C24 Os2 Os3 P3 -15.6(4) . . . . ?
C21 Os2 Os3 P3 79.2(2) . . . . ?
C23 Os2 Os3 P3 -103.7(2) . . . . ?
Os1 Os2 Os3 P3 -8.71(7) . . . . ?
C22 Os2 Os3 Os1 176.7(2) . . . . ?
C24 Os2 Os3 Os1 -6.9(3) . . . . ?
C21 Os2 Os3 Os1 87.9(2) . . . . ?
C23 Os2 Os3 Os1 -95.0(2) . . . . ?
Os1 Os2 Os3 Os1 0.0 . . . . ?
C11 Os1 Os3 C32 -3.6(11) . . . . ?
C12 Os1 Os3 C32 78.3(7) . . . . ?
C13 Os1 Os3 C32 -97.0(7) . . . . ?
P1 Os1 Os3 C32 174.8(7) . . . . ?
Os2 Os1 Os3 C32 -7.1(7) . . . . ?
C11 Os1 Os3 C33 -90.2(9) . . . . ?
C12 Os1 Os3 C33 -8.3(3) . . . . ?
C13 Os1 Os3 C33 176.4(2) . . . . ?
P1 Os1 Os3 C33 88.2(2) . . . . ?
Os2 Os1 Os3 C33 -93.7(2) . . . . ?
C11 Os1 Os3 C31 90.6(9) . . . . ?
C12 Os1 Os3 C31 172.5(2) . . . . ?
C13 Os1 Os3 C31 -2.8(2) . . . . ?
P1 Os1 Os3 C31 -91.0(2) . . . . ?
Os2 Os1 Os3 C31 87.0(2) . . . . ?
C11 Os1 Os3 P3 179.3(9) . . . . ?
C12 Os1 Os3 P3 -98.9(2) . . . . ?
C13 Os1 Os3 P3 85.9(2) . . . . ?
P1 Os1 Os3 P3 -2.34(4) . . . . ?
Os2 Os1 Os3 P3 175.70(3) . . . . ?
C11 Os1 Os3 Os2 3.6(9) . . . . ?
C12 Os1 Os3 Os2 85.4(2) . . . . ?
C13 Os1 Os3 Os2 -89.8(2) . . . . ?
P1 Os1 Os3 Os2 -178.04(3) . . . . ?
Os2 Os1 Os3 Os2 0.0 . . . . ?
C32 Os3 C31 O31 -44.1(65) . . . . ?
C33 Os3 C31 O31 107.7(134) . . . . ?
P3 Os3 C31 O31 65.1(65) . . . . ?
Os2 Os3 C31 O31 -144.4(65) . . . . ?
Os1 Os3 C31 O31 155.9(65) . . . . ?
C33 Os3 C32 O32 44.7(180) . . . . ?
C31 Os3 C32 O32 -135.7(180) . . . . ?
P3 Os3 C32 O32 135.6(180) . . . . ?
Os2 Os3 C32 O32 -47.7(180) . . . . ?
Os1 Os3 C32 O32 -41.4(184) . . . . ?
C32 Os3 C33 O33 52.8(62) . . . . ?
C31 Os3 C33 O33 -99.0(142) . . . . ?
P3 Os3 C33 O33 -56.4(62) . . . . ?
Os2 Os3 C33 O33 153.1(61) . . . . ?
Os1 Os3 C33 O33 -147.2(62) . . . . ?
C11 Os1 P1 C101 -9.3(3) . . . . ?
C12 Os1 P1 C101 -98.2(3) . . . . ?
C13 Os1 P1 C101 79.7(3) . . . . ?
Os2 Os1 P1 C101 167.8(2) . . . . ?
Os3 Os1 P1 C101 171.1(2) . . . . ?
C11 Os1 P1 C5 119.6(3) . . . . ?
C12 Os1 P1 C5 30.6(2) . . . . ?
C13 Os1 P1 C5 -151.5(2) . . . . ?
Os2 Os1 P1 C5 -63.3(2) . . . . ?
Os3 Os1 P1 C5 -60.0(2) . . . . ?
C11 Os1 P1 P2 -131.1(2) . . . . ?
C12 Os1 P1 P2 139.9(2) . . . . ?
C13 Os1 P1 P2 -42.2(2) . . . . ?
Os2 Os1 P1 P2 45.97(10) . . . . ?
Os3 Os1 P1 P2 49.29(6) . . . . ?
C5 P1 C101 C106 -70.7(5) . . . . ?
P2 P1 C101 C106 -179.1(4) . . . . ?
Os1 P1 C101 C106 61.8(5) . . . . ?
C5 P1 C101 C102 113.8(5) . . . . ?
P2 P1 C101 C102 5.4(6) . . . . ?
Os1 P1 C101 C102 -113.7(5) . . . . ?
C106 C101 C102 C103 1.7(10) . . . . ?
P1 C101 C102 C103 177.3(6) . . . . ?
C101 C102 C103 C104 0.5(12) . . . . ?
C102 C103 C104 C105 -1.4(14) . . . . ?
C103 C104 C105 C106 0.0(13) . . . . ?
C104 C105 C106 C101 2.3(12) . . . . ?
C102 C101 C106 C105 -3.1(10) . . . . ?
P1 C101 C106 C105 -178.8(6) . . . . ?
C101 P1 P2 C201 57.1(3) . . . . ?
C5 P1 P2 C201 -57.4(3) . . . . ?
Os1 P1 P2 C201 -178.4(2) . . . . ?
C101 P1 P2 P3 158.8(2) . . . . ?
C5 P1 P2 P3 44.3(2) . . . . ?
Os1 P1 P2 P3 -76.68(6) . . . . ?
P1 P2 C201 C206 3.8(6) . . . . ?
P3 P2 C201 C206 -82.7(6) . . . . ?
P1 P2 C201 C202 -176.7(4) . . . . ?
P3 P2 C201 C202 96.8(5) . . . . ?
C206 C201 C202 C203 2.5(10) . . . . ?
P2 C201 C202 C203 -177.0(6) . . . . ?
C201 C202 C203 C204 -3.0(13) . . . . ?
C202 C203 C204 C205 1.7(14) . . . . ?
C203 C204 C205 C206 0.2(14) . . . . ?
C204 C205 C206 C201 -0.6(12) . . . . ?
C202 C201 C206 C205 -0.7(10) . . . . ?
P2 C201 C206 C205 178.7(6) . . . . ?
C201 P2 P3 C301 -46.5(3) . . . . ?
P1 P2 P3 C301 -155.7(2) . . . . ?
C201 P2 P3 C4 63.8(3) . . . . ?
P1 P2 P3 C4 -45.4(2) . . . . ?
C201 P2 P3 Os3 -177.0(2) . . . . ?
P1 P2 P3 Os3 73.90(6) . . . . ?
C32 Os3 P3 C301 16.9(3) . . . . ?
C33 Os3 P3 C301 107.8(3) . . . . ?
C31 Os3 P3 C301 -72.9(3) . . . . ?
Os2 Os3 P3 C301 -156.6(2) . . . . ?
Os1 Os3 P3 C301 -164.1(2) . . . . ?
C32 Os3 P3 C4 -115.3(3) . . . . ?
C33 Os3 P3 C4 -24.4(3) . . . . ?
C31 Os3 P3 C4 154.9(2) . . . . ?
Os2 Os3 P3 C4 71.2(2) . . . . ?
Os1 Os3 P3 C4 63.7(2) . . . . ?
C32 Os3 P3 P2 136.7(2) . . . . ?
C33 Os3 P3 P2 -132.4(2) . . . . ?
C31 Os3 P3 P2 46.9(2) . . . . ?
Os2 Os3 P3 P2 -36.82(10) . . . . ?
Os1 Os3 P3 P2 -44.35(6) . . . . ?
C4 P3 C301 C306 153.6(6) . . . . ?
P2 P3 C301 C306 -102.1(6) . . . . ?
Os3 P3 C301 C306 18.3(7) . . . . ?
C4 P3 C301 C302 -29.7(6) . . . . ?
P2 P3 C301 C302 74.5(5) . . . . ?
Os3 P3 C301 C302 -165.1(4) . . . . ?
C306 C301 C302 C303 -1.6(10) . . . . ?
P3 C301 C302 C303 -178.2(5) . . . . ?
C301 C302 C303 C304 0.9(11) . . . . ?
C302 C303 C304 C305 0.3(15) . . . . ?
C303 C304 C305 C306 -0.8(17) . . . . ?
C302 C301 C306 C305 1.1(12) . . . . ?
P3 C301 C306 C305 177.9(7) . . . . ?
C304 C305 C306 C301 0.1(16) . . . . ?
C301 P3 C4 C5 146.5(4) . . . . ?
P2 P3 C4 C5 37.9(4) . . . . ?
Os3 P3 C4 C5 -74.5(4) . . . . ?
C301 P3 C4 C401 -36.6(5) . . . . ?
P2 P3 C4 C401 -145.2(4) . . . . ?
Os3 P3 C4 C401 102.3(4) . . . . ?
C5 C4 C401 C406 140.0(6) . . . . ?
P3 C4 C401 C406 -36.5(7) . . . . ?
C5 C4 C401 C402 -44.3(8) . . . . ?
P3 C4 C401 C402 139.2(5) . . . . ?
C406 C401 C402 C403 -0.7(10) . . . . ?
C4 C401 C402 C403 -176.5(6) . . . . ?
C401 C402 C403 C404 0.3(11) . . . . ?
C402 C403 C404 C405 -0.3(12) . . . . ?
C403 C404 C405 C406 0.9(12) . . . . ?
C402 C401 C406 C405 1.3(9) . . . . ?
C4 C401 C406 C405 177.0(6) . . . . ?
C404 C405 C406 C401 -1.4(11) . . . . ?
C401 C4 C5 C501 -9.3(9) . . . . ?
P3 C4 C5 C501 167.3(4) . . . . ?
C401 C4 C5 P1 -179.4(4) . . . . ?
P3 C4 C5 P1 -2.8(5) . . . . ?
C101 P1 C5 C4 -149.6(4) . . . . ?
P2 P1 C5 C4 -33.9(4) . . . . ?
Os1 P1 C5 C4 78.8(4) . . . . ?
C101 P1 C5 C501 39.6(5) . . . . ?
P2 P1 C5 C501 155.3(4) . . . . ?
Os1 P1 C5 C501 -92.0(4) . . . . ?
C4 C5 C501 C502 118.5(7) . . . . ?
P1 C5 C501 C502 -71.7(7) . . . . ?
C4 C5 C501 C506 -60.9(8) . . . . ?
P1 C5 C501 C506 108.9(6) . . . . ?
C506 C501 C502 C503 0.1(10) . . . . ?
C5 C501 C502 C503 -179.3(6) . . . . ?
C501 C502 C503 C504 -1.3(12) . . . . ?
C502 C503 C504 C505 1.0(13) . . . . ?
C503 C504 C505 C506 0.4(13) . . . . ?
C504 C505 C506 C501 -1.5(11) . . . . ?
C502 C501 C506 C505 1.3(10) . . . . ?
C5 C501 C506 C505 -179.3(6) . . . . ?
