#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:46:30 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178915 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/44/4114485.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_4114485
loop_
_publ_author_name
'Eric G. Tulsky'
'Nathan R. M. Crawford'
'Stéphane A. Baudron'
'Patrick Batail'
'Jeffrey R. Long'
_publ_section_title
;
 Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of
 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and
 {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15543
_journal_page_last               15553
_journal_paper_doi               10.1021/ja037444q
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C64 H50 Co N6 Os2 P2 Re4 Se8'
_chemical_formula_weight         2780.85
_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                 95.2810(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.9445(2)
_cell_length_b                   19.8950(3)
_cell_length_c                   14.012
_cell_measurement_temperature    130(2)
_cell_volume                     3315.62(7)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_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  0.0580
_diffrn_reflns_av_sigmaI/netI    0.0512
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14648
_diffrn_reflns_theta_max         25.51
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    15.816
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.785
_exptl_crystal_description       'rectangular prism '
_exptl_crystal_F_000             2514
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.108
_refine_diff_density_min         -3.869
_refine_diff_density_rms         0.380
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.019
_refine_ls_goodness_of_fit_obs   1.102
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         5569
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_restrained_S_obs      1.102
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_obs          0.0436
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0673P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1078
_refine_ls_wR_factor_obs         0.1028
_reflns_number_observed          4413
_reflns_number_total             5569
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ja037444qsi20031002_112603_4.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0673P)^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^)+(0.0673P)^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_cell_volume        3315.57(7)
_cod_database_code               4114485
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
Os1 Os 0.53919(3) 0.09157(2) 0.50835(3) 0.01401(13) Uani 0.33 d P
Os2 Os 0.36963(3) 0.02212(2) 0.42025(3) 0.01435(13) Uani 0.33 d P
Os3 Os 0.42006(3) 0.00865(2) 0.60922(3) 0.01449(13) Uani 0.33 d P
Re1 Re 0.53919(3) 0.09157(2) 0.50835(3) 0.01401(13) Uani 0.67 d P
Re2 Re 0.36963(3) 0.02212(2) 0.42025(3) 0.01435(13) Uani 0.67 d P
Re3 Re 0.42006(3) 0.00865(2) 0.60922(3) 0.01449(13) Uani 0.67 d P
Se1 Se 0.48957(8) 0.09964(5) 0.33113(7) 0.0166(2) Uani 1 d .
Se2 Se 0.58472(8) 0.07469(5) 0.68606(7) 0.0182(2) Uani 1 d .
Se3 Se 0.33871(8) 0.11529(5) 0.53701(7) 0.0171(2) Uani 1 d .
Se4 Se 0.73504(8) 0.05754(5) 0.47969(7) 0.0174(2) Uani 1 d .
C1 C 0.5821(8) 0.1929(5) 0.5123(7) 0.021(2) Uani 1 d .
N1 N 0.6071(7) 0.2499(5) 0.5138(7) 0.029(2) Uani 1 d .
C2 C 0.2275(8) 0.0475(5) 0.3282(7) 0.019(2) Uani 1 d .
N2 N 0.1500(7) 0.0607(5) 0.2766(6) 0.028(2) Uani 1 d .
C3 C 0.3273(9) 0.0199(5) 0.7304(9) 0.026(3) Uani 1 d .
N3 N 0.2771(8) 0.0256(5) 0.7941(7) 0.034(2) Uani 1 d .
Co Co 0.0000 0.0000 0.0000 0.0275(5) Uani 1 d S
C7 C -0.0333(14) 0.0901(8) -0.0640(15) 0.072(6) Uani 1 d .
H7 H 0.0038(14) 0.1089(8) -0.1130(15) 0.087 Uiso 1 calc R
C8 C -0.1278(11) 0.0480(7) -0.0748(9) 0.045(3) Uani 1 d .
H8 H -0.1642(11) 0.0327(7) -0.1322(9) 0.054 Uiso 1 calc R
C9 C -0.1563(10) 0.0339(6) 0.0165(10) 0.044(4) Uani 1 d .
H9 H -0.2174(10) 0.0082(6) 0.0311(10) 0.053 Uiso 1 calc R
C10 C -0.0793(14) 0.0642(7) 0.0825(11) 0.058(4) Uani 1 d .
H10 H -0.0797(14) 0.0611(7) 0.1487(11) 0.070 Uiso 1 calc R
C11 C -0.0044(14) 0.0986(7) 0.0373(19) 0.093(8) Uani 1 d .
H11 H 0.0554(14) 0.1235(7) 0.0659(19) 0.112 Uiso 1 calc R
P P 0.9740(2) 0.25486(13) 0.4265(2) 0.0160(5) Uani 1 d .
C20 C 1.1061(8) 0.2569(5) 0.3758(7) 0.018(2) Uani 1 d .
C21 C 1.1106(8) 0.2496(5) 0.2777(7) 0.021(2) Uani 1 d .
H21 H 1.0448(8) 0.2473(5) 0.2368(7) 0.025 Uiso 1 calc R
C22 C 1.2167(9) 0.2457(6) 0.2410(8) 0.032(3) Uani 1 d .
H22 H 1.2211(9) 0.2407(6) 0.1755(8) 0.039 Uiso 1 calc R
C23 C 1.3115(10) 0.2494(6) 0.3008(8) 0.033(3) Uani 1 d .
H23 H 1.3806(10) 0.2460(6) 0.2754(8) 0.040 Uiso 1 calc R
C24 C 1.3097(9) 0.2582(5) 0.3999(8) 0.029(3) Uani 1 d .
H24 H 1.3759(9) 0.2632(5) 0.4396(8) 0.035 Uiso 1 calc R
C25 C 1.2053(8) 0.2593(5) 0.4370(7) 0.023(2) Uani 1 d .
H25 H 1.2016(8) 0.2616(5) 0.5029(7) 0.028 Uiso 1 calc R
C26 C 0.8591(8) 0.2434(5) 0.3363(7) 0.019(2) Uani 1 d .
C27 C 0.7995(9) 0.2973(5) 0.2980(7) 0.025(2) Uani 1 d .
H27 H 0.8208(9) 0.3408(5) 0.3161(7) 0.031 Uiso 1 calc R
C28 C 0.7067(9) 0.2868(6) 0.2319(8) 0.031(3) Uani 1 d .
H28 H 0.6661(9) 0.3234(6) 0.2062(8) 0.037 Uiso 1 calc R
C29 C 0.6747(9) 0.2227(5) 0.2041(7) 0.024(2) Uani 1 d .
H29 H 0.6117(9) 0.2162(5) 0.1609(7) 0.029 Uiso 1 calc R
C30 C 0.7376(9) 0.1667(5) 0.2414(7) 0.025(2) Uani 1 d .
H30 H 0.7171(9) 0.1234(5) 0.2219(7) 0.031 Uiso 1 calc R
C31 C 0.8298(8) 0.1768(5) 0.3071(7) 0.022(2) Uani 1 d .
H31 H 0.8720(8) 0.1405(5) 0.3319(7) 0.027 Uiso 1 calc R
C32 C 0.9803(8) 0.1849(5) 0.5102(7) 0.018(2) Uani 1 d .
C33 C 1.0449(8) 0.1288(5) 0.4908(8) 0.020(2) Uani 1 d .
H33 H 1.0845(8) 0.1279(5) 0.4367(8) 0.023 Uiso 1 calc R
C34 C 1.0493(8) 0.0751(5) 0.5523(9) 0.028(3) Uani 1 d .
H34 H 1.0925(8) 0.0379(5) 0.5394(9) 0.034 Uiso 1 calc R
C35 C 0.9909(9) 0.0750(5) 0.6331(8) 0.027(3) Uani 1 d .
H35 H 0.9961(9) 0.0387(5) 0.6751(8) 0.033 Uiso 1 calc R
C36 C 0.9243(9) 0.1302(5) 0.6506(8) 0.028(3) Uani 1 d .
H36 H 0.8829(9) 0.1303(5) 0.7036(8) 0.033 Uiso 1 calc R
C37 C 0.9195(9) 0.1848(5) 0.5896(7) 0.023(2) Uani 1 d .
H37 H 0.8752(9) 0.2217(5) 0.6019(7) 0.027 Uiso 1 calc R
C38 C 0.9509(8) 0.3320(5) 0.4906(7) 0.018(2) Uani 1 d .
C39 C 0.8460(8) 0.3418(5) 0.5253(7) 0.021(2) Uani 1 d .
H39 H 0.7872(8) 0.3120(5) 0.5094(7) 0.025 Uiso 1 calc R
C40 C 0.8312(10) 0.3958(5) 0.5827(8) 0.028(3) Uani 1 d .
H40 H 0.7627(10) 0.4017(5) 0.6082(8) 0.034 Uiso 1 calc R
C41 C 0.9165(9) 0.4420(5) 0.6035(8) 0.027(3) Uani 1 d .
H41 H 0.9052(9) 0.4788(5) 0.6425(8) 0.033 Uiso 1 calc R
C42 C 1.0177(10) 0.4332(5) 0.5663(8) 0.029(3) Uani 1 d .
H42 H 1.0748(10) 0.4645(5) 0.5802(8) 0.034 Uiso 1 calc R
C43 C 1.0369(9) 0.3786(5) 0.5083(8) 0.024(2) Uani 1 d .
H43 H 1.1051(9) 0.3734(5) 0.4821(8) 0.029 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'
N N 0.0061 0.0033 '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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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
C1 Os1 Se4 92.0(3) . .
C1 Os1 Se1 90.0(3) . .
Se4 Os1 Se1 89.86(3) . .
C1 Os1 Se3 92.9(3) . .
Se4 Os1 Se3 175.15(3) . .
Se1 Os1 Se3 90.25(3) . .
C1 Os1 Se2 94.2(3) . .
Se4 Os1 Se2 90.15(3) . .
Se1 Os1 Se2 175.87(3) . .
Se3 Os1 Se2 89.39(3) . .
C1 Os1 Re3 133.2(3) . 3_656
Se4 Os1 Re3 58.05(3) . 3_656
Se1 Os1 Re3 58.27(2) . 3_656
Se3 Os1 Re3 118.16(3) . 3_656
Se2 Os1 Re3 118.47(3) . 3_656
C1 Os1 Os3 133.2(3) . 3_656
Se4 Os1 Os3 58.05(3) . 3_656
Se1 Os1 Os3 58.27(2) . 3_656
Se3 Os1 Os3 118.16(3) . 3_656
Se2 Os1 Os3 118.47(3) . 3_656
Re3 Os1 Os3 0.00(2) 3_656 3_656
C1 Os1 Re2 133.7(3) . .
Se4 Os1 Re2 117.91(3) . .
Se1 Os1 Re2 58.17(2) . .
Se3 Os1 Re2 58.32(2) . .
Se2 Os1 Re2 118.35(3) . .
Re3 Os1 Re2 59.873(14) 3_656 .
Os3 Os1 Re2 59.873(14) 3_656 .
C1 Os1 Os2 133.7(3) . .
Se4 Os1 Os2 117.91(3) . .
Se1 Os1 Os2 58.17(2) . .
Se3 Os1 Os2 58.32(2) . .
Se2 Os1 Os2 118.35(3) . .
Re3 Os1 Os2 59.873(14) 3_656 .
Os3 Os1 Os2 59.873(14) 3_656 .
Re2 Os1 Os2 0.00(2) . .
C1 Os1 Re2 136.2(3) . 3_656
Se4 Os1 Re2 58.33(2) . 3_656
Se1 Os1 Re2 118.55(3) . 3_656
Se3 Os1 Re2 117.56(3) . 3_656
Se2 Os1 Re2 58.18(2) . 3_656
Re3 Os1 Re2 60.299(14) 3_656 3_656
Os3 Os1 Re2 60.299(14) 3_656 3_656
Re2 Os1 Re2 90.05(2) . 3_656
Os2 Os1 Re2 90.05(2) . 3_656
C1 Os1 Os2 136.2(3) . 3_656
Se4 Os1 Os2 58.33(2) . 3_656
Se1 Os1 Os2 118.55(3) . 3_656
Se3 Os1 Os2 117.56(3) . 3_656
Se2 Os1 Os2 58.18(2) . 3_656
Re3 Os1 Os2 60.299(14) 3_656 3_656
Os3 Os1 Os2 60.299(14) 3_656 3_656
Re2 Os1 Os2 90.05(2) . 3_656
Os2 Os1 Os2 90.05(2) . 3_656
Re2 Os1 Os2 0.00(2) 3_656 3_656
C1 Os1 Os3 136.7(3) . .
Se4 Os1 Os3 118.02(3) . .
Se1 Os1 Os3 118.42(3) . .
Se3 Os1 Os3 57.86(2) . .
Se2 Os1 Os3 58.10(2) . .
Re3 Os1 Os3 90.09(2) 3_656 .
Os3 Os1 Os3 90.09(2) 3_656 .
Re2 Os1 Os3 60.267(14) . .
Os2 Os1 Os3 60.267(14) . .
Re2 Os1 Os3 59.716(14) 3_656 .
Os2 Os1 Os3 59.716(14) 3_656 .
C2 Os2 Se1 90.7(3) . .
C2 Os2 Se3 93.6(3) . .
Se1 Os2 Se3 89.74(3) . .
C2 Os2 Se4 94.5(3) . 3_656
Se1 Os2 Se4 174.74(4) . 3_656
Se3 Os2 Se4 89.52(3) . 3_656
C2 Os2 Se2 91.6(3) . 3_656
Se1 Os2 Se2 90.63(3) . 3_656
Se3 Os2 Se2 174.78(4) . 3_656
Se4 Os2 Se2 89.64(3) 3_656 3_656
C2 Os2 Re3 133.2(3) . 3_656
Se1 Os2 Re3 58.23(2) . 3_656
Se3 Os2 Re3 117.87(3) . 3_656
Se4 Os2 Re3 117.78(3) 3_656 3_656
Se2 Os2 Re3 58.23(2) 3_656 3_656
C2 Os2 Os3 133.2(3) . 3_656
Se1 Os2 Os3 58.23(2) . 3_656
Se3 Os2 Os3 117.87(3) . 3_656
Se4 Os2 Os3 117.78(3) 3_656 3_656
Se2 Os2 Os3 58.23(2) 3_656 3_656
Re3 Os2 Os3 0.00(2) 3_656 3_656
C2 Os2 Re1 134.3(3) . .
Se1 Os2 Re1 57.82(2) . .
Se3 Os2 Re1 57.85(2) . .
Se4 Os2 Re1 117.62(3) 3_656 .
Se2 Os2 Re1 118.26(3) 3_656 .
Re3 Os2 Re1 60.059(14) 3_656 .
Os3 Os2 Re1 60.059(14) 3_656 .
C2 Os2 Os1 134.3(3) . .
Se1 Os2 Os1 57.82(2) . .
Se3 Os2 Os1 57.85(2) . .
Se4 Os2 Os1 117.62(3) 3_656 .
Se2 Os2 Os1 118.26(3) 3_656 .
Re3 Os2 Os1 60.059(14) 3_656 .
Os3 Os2 Os1 60.059(14) 3_656 .
Re1 Os2 Os1 0.00(2) . .
C2 Os2 Os1 135.7(3) . 3_656
Se1 Os2 Os1 118.37(3) . 3_656
Se3 Os2 Os1 117.35(3) . 3_656
Se4 Os2 Os1 57.62(2) 3_656 3_656
Se2 Os2 Os1 58.07(2) 3_656 3_656
Re3 Os2 Os1 60.184(14) 3_656 3_656
Os3 Os2 Os1 60.184(14) 3_656 3_656
Re1 Os2 Os1 89.95(2) . 3_656
Os1 Os2 Os1 89.95(2) . 3_656
C2 Os2 Re1 135.7(3) . 3_656
Se1 Os2 Re1 118.37(3) . 3_656
Se3 Os2 Re1 117.35(3) . 3_656
Se4 Os2 Re1 57.62(2) 3_656 3_656
Se2 Os2 Re1 58.07(2) 3_656 3_656
Re3 Os2 Re1 60.184(14) 3_656 3_656
Os3 Os2 Re1 60.184(14) 3_656 3_656
Re1 Os2 Re1 89.95(2) . 3_656
Os1 Os2 Re1 89.95(2) . 3_656
Os1 Os2 Re1 0.00(2) 3_656 3_656
C2 Os2 Re3 136.8(3) . .
Se1 Os2 Re3 117.81(3) . .
Se3 Os2 Re3 57.62(2) . .
Se4 Os2 Re3 57.64(3) 3_656 .
Se2 Os2 Re3 117.81(3) 3_656 .
Re3 Os2 Re3 90.04(2) 3_656 .
Os3 Os2 Re3 90.04(2) 3_656 .
Re1 Os2 Re3 60.002(14) . .
Os1 Os2 Re3 60.002(14) . .
Os1 Os2 Re3 59.749(14) 3_656 .
Re1 Os2 Re3 59.749(14) 3_656 .
C3 Os3 Se3 91.2(3) . .
C3 Os3 Se4 92.1(3) . 3_656
Se3 Os3 Se4 90.16(3) . 3_656
C3 Os3 Se1 93.7(3) . 3_656
Se3 Os3 Se1 175.06(3) . 3_656
Se4 Os3 Se1 89.44(3) 3_656 3_656
C3 Os3 Se2 92.7(3) . .
Se3 Os3 Se2 89.40(3) . .
Se4 Os3 Se2 175.17(3) 3_656 .
Se1 Os3 Se2 90.59(3) 3_656 .
C3 Os3 Re2 136.1(3) . 3_656
Se3 Os3 Re2 117.99(3) . 3_656
Se4 Os3 Re2 117.90(3) 3_656 3_656
Se1 Os3 Re2 58.09(2) 3_656 3_656
Se2 Os3 Re2 58.31(2) . 3_656
C3 Os3 Os2 136.1(3) . 3_656
Se3 Os3 Os2 117.99(3) . 3_656
Se4 Os3 Os2 117.90(3) 3_656 3_656
Se1 Os3 Os2 58.09(2) 3_656 3_656
Se2 Os3 Os2 58.31(2) . 3_656
Re2 Os3 Os2 0.00(2) 3_656 3_656
C3 Os3 Re1 135.5(3) . 3_656
Se3 Os3 Re1 118.07(3) . 3_656
Se4 Os3 Re1 57.85(2) 3_656 3_656
Se1 Os3 Re1 57.78(2) 3_656 3_656
Se2 Os3 Re1 118.35(3) . 3_656
Re2 Os3 Re1 60.070(14) 3_656 3_656
Os2 Os3 Re1 60.070(14) 3_656 3_656
C3 Os3 Os1 135.5(3) . 3_656
Se3 Os3 Os1 118.07(3) . 3_656
Se4 Os3 Os1 57.85(2) 3_656 3_656
Se1 Os3 Os1 57.78(2) 3_656 3_656
Se2 Os3 Os1 118.35(3) . 3_656
Re2 Os3 Os1 60.070(14) 3_656 3_656
Os2 Os3 Os1 60.070(14) 3_656 3_656
Re1 Os3 Os1 0.00(2) 3_656 3_656
C3 Os3 Re1 134.6(3) . .
Se3 Os3 Re1 57.91(2) . .
Se4 Os3 Re1 117.85(3) 3_656 .
Se1 Os3 Re1 118.15(3) 3_656 .
Se2 Os3 Re1 58.07(2) . .
Re2 Os3 Re1 60.100(14) 3_656 .
Os2 Os3 Re1 60.100(14) 3_656 .
Re1 Os3 Re1 89.91(2) 3_656 .
Os1 Os3 Re1 89.91(2) 3_656 .
C3 Os3 Os1 134.6(3) . .
Se3 Os3 Os1 57.91(2) . .
Se4 Os3 Os1 117.85(3) 3_656 .
Se1 Os3 Os1 118.15(3) 3_656 .
Se2 Os3 Os1 58.07(2) . .
Re2 Os3 Os1 60.100(14) 3_656 .
Os2 Os3 Os1 60.100(14) 3_656 .
Re1 Os3 Os1 89.91(2) 3_656 .
Os1 Os3 Os1 89.91(2) 3_656 .
Re1 Os3 Os1 0.00(2) . .
C3 Os3 Os2 134.0(3) . .
Se3 Os3 Os2 58.14(2) . .
Se4 Os3 Os2 58.14(2) 3_656 .
Se1 Os3 Os2 117.71(3) 3_656 .
Se2 Os3 Os2 117.78(3) . .
Re2 Os3 Os2 89.96(2) 3_656 .
Os2 Os3 Os2 89.96(2) 3_656 .
Re1 Os3 Os2 59.951(14) 3_656 .
Os1 Os3 Os2 59.951(14) 3_656 .
Re1 Os3 Os2 59.730(14) . .
Os1 Os3 Os2 59.730(14) . .
C1 Re1 Se4 92.0(3) . .
C1 Re1 Se1 90.0(3) . .
Se4 Re1 Se1 89.86(3) . .
C1 Re1 Se3 92.9(3) . .
Se4 Re1 Se3 175.15(3) . .
Se1 Re1 Se3 90.25(3) . .
C1 Re1 Se2 94.2(3) . .
Se4 Re1 Se2 90.15(3) . .
Se1 Re1 Se2 175.87(3) . .
Se3 Re1 Se2 89.39(3) . .
C1 Re1 Re3 133.2(3) . 3_656
Se4 Re1 Re3 58.05(3) . 3_656
Se1 Re1 Re3 58.27(2) . 3_656
Se3 Re1 Re3 118.16(3) . 3_656
Se2 Re1 Re3 118.47(3) . 3_656
C1 Re1 Os3 133.2(3) . 3_656
Se4 Re1 Os3 58.05(3) . 3_656
Se1 Re1 Os3 58.27(2) . 3_656
Se3 Re1 Os3 118.16(3) . 3_656
Se2 Re1 Os3 118.47(3) . 3_656
Re3 Re1 Os3 0.00(2) 3_656 3_656
C1 Re1 Re2 133.7(3) . .
Se4 Re1 Re2 117.91(3) . .
Se1 Re1 Re2 58.17(2) . .
Se3 Re1 Re2 58.32(2) . .
Se2 Re1 Re2 118.35(3) . .
Re3 Re1 Re2 59.873(14) 3_656 .
Os3 Re1 Re2 59.873(14) 3_656 .
C1 Re1 Os2 133.7(3) . .
Se4 Re1 Os2 117.91(3) . .
Se1 Re1 Os2 58.17(2) . .
Se3 Re1 Os2 58.32(2) . .
Se2 Re1 Os2 118.35(3) . .
Re3 Re1 Os2 59.873(14) 3_656 .
Os3 Re1 Os2 59.873(14) 3_656 .
Re2 Re1 Os2 0.00(2) . .
C1 Re1 Re2 136.2(3) . 3_656
Se4 Re1 Re2 58.33(2) . 3_656
Se1 Re1 Re2 118.55(3) . 3_656
Se3 Re1 Re2 117.56(3) . 3_656
Se2 Re1 Re2 58.18(2) . 3_656
Re3 Re1 Re2 60.299(14) 3_656 3_656
Os3 Re1 Re2 60.299(14) 3_656 3_656
Re2 Re1 Re2 90.05(2) . 3_656
Os2 Re1 Re2 90.05(2) . 3_656
C1 Re1 Os2 136.2(3) . 3_656
Se4 Re1 Os2 58.33(2) . 3_656
Se1 Re1 Os2 118.55(3) . 3_656
Se3 Re1 Os2 117.56(3) . 3_656
Se2 Re1 Os2 58.18(2) . 3_656
Re3 Re1 Os2 60.299(14) 3_656 3_656
Os3 Re1 Os2 60.299(14) 3_656 3_656
Re2 Re1 Os2 90.05(2) . 3_656
Os2 Re1 Os2 90.05(2) . 3_656
Re2 Re1 Os2 0.00(2) 3_656 3_656
C1 Re1 Os3 136.7(3) . .
Se4 Re1 Os3 118.02(3) . .
Se1 Re1 Os3 118.42(3) . .
Se3 Re1 Os3 57.86(2) . .
Se2 Re1 Os3 58.10(2) . .
Re3 Re1 Os3 90.09(2) 3_656 .
Os3 Re1 Os3 90.09(2) 3_656 .
Re2 Re1 Os3 60.267(14) . .
Os2 Re1 Os3 60.267(14) . .
Re2 Re1 Os3 59.716(14) 3_656 .
Os2 Re1 Os3 59.716(14) 3_656 .
C2 Re2 Se1 90.7(3) . .
C2 Re2 Se3 93.6(3) . .
Se1 Re2 Se3 89.74(3) . .
C2 Re2 Se4 94.5(3) . 3_656
Se1 Re2 Se4 174.74(4) . 3_656
Se3 Re2 Se4 89.52(3) . 3_656
C2 Re2 Se2 91.6(3) . 3_656
Se1 Re2 Se2 90.63(3) . 3_656
Se3 Re2 Se2 174.78(4) . 3_656
Se4 Re2 Se2 89.64(3) 3_656 3_656
C2 Re2 Re3 133.2(3) . 3_656
Se1 Re2 Re3 58.23(2) . 3_656
Se3 Re2 Re3 117.87(3) . 3_656
Se4 Re2 Re3 117.78(3) 3_656 3_656
Se2 Re2 Re3 58.23(2) 3_656 3_656
C2 Re2 Os3 133.2(3) . 3_656
Se1 Re2 Os3 58.23(2) . 3_656
Se3 Re2 Os3 117.87(3) . 3_656
Se4 Re2 Os3 117.78(3) 3_656 3_656
Se2 Re2 Os3 58.23(2) 3_656 3_656
Re3 Re2 Os3 0.00(2) 3_656 3_656
C2 Re2 Re1 134.3(3) . .
Se1 Re2 Re1 57.82(2) . .
Se3 Re2 Re1 57.85(2) . .
Se4 Re2 Re1 117.62(3) 3_656 .
Se2 Re2 Re1 118.26(3) 3_656 .
Re3 Re2 Re1 60.059(14) 3_656 .
Os3 Re2 Re1 60.059(14) 3_656 .
C2 Re2 Os1 134.3(3) . .
Se1 Re2 Os1 57.82(2) . .
Se3 Re2 Os1 57.85(2) . .
Se4 Re2 Os1 117.62(3) 3_656 .
Se2 Re2 Os1 118.26(3) 3_656 .
Re3 Re2 Os1 60.059(14) 3_656 .
Os3 Re2 Os1 60.059(14) 3_656 .
Re1 Re2 Os1 0.00(2) . .
C2 Re2 Os1 135.7(3) . 3_656
Se1 Re2 Os1 118.37(3) . 3_656
Se3 Re2 Os1 117.35(3) . 3_656
Se4 Re2 Os1 57.62(2) 3_656 3_656
Se2 Re2 Os1 58.07(2) 3_656 3_656
Re3 Re2 Os1 60.184(14) 3_656 3_656
Os3 Re2 Os1 60.184(14) 3_656 3_656
Re1 Re2 Os1 89.95(2) . 3_656
Os1 Re2 Os1 89.95(2) . 3_656
C2 Re2 Re1 135.7(3) . 3_656
Se1 Re2 Re1 118.37(3) . 3_656
Se3 Re2 Re1 117.35(3) . 3_656
Se4 Re2 Re1 57.62(2) 3_656 3_656
Se2 Re2 Re1 58.07(2) 3_656 3_656
Re3 Re2 Re1 60.184(14) 3_656 3_656
Os3 Re2 Re1 60.184(14) 3_656 3_656
Re1 Re2 Re1 89.95(2) . 3_656
Os1 Re2 Re1 89.95(2) . 3_656
Os1 Re2 Re1 0.00(2) 3_656 3_656
C2 Re2 Re3 136.8(3) . .
Se1 Re2 Re3 117.81(3) . .
Se3 Re2 Re3 57.62(2) . .
Se4 Re2 Re3 57.64(3) 3_656 .
Se2 Re2 Re3 117.81(3) 3_656 .
Re3 Re2 Re3 90.04(2) 3_656 .
Os3 Re2 Re3 90.04(2) 3_656 .
Re1 Re2 Re3 60.002(14) . .
Os1 Re2 Re3 60.002(14) . .
Os1 Re2 Re3 59.749(14) 3_656 .
Re1 Re2 Re3 59.749(14) 3_656 .
C3 Re3 Se3 91.2(3) . .
C3 Re3 Se4 92.1(3) . 3_656
Se3 Re3 Se4 90.16(3) . 3_656
C3 Re3 Se1 93.7(3) . 3_656
Se3 Re3 Se1 175.06(3) . 3_656
Se4 Re3 Se1 89.44(3) 3_656 3_656
C3 Re3 Se2 92.7(3) . .
Se3 Re3 Se2 89.40(3) . .
Se4 Re3 Se2 175.17(3) 3_656 .
Se1 Re3 Se2 90.59(3) 3_656 .
C3 Re3 Re2 136.1(3) . 3_656
Se3 Re3 Re2 117.99(3) . 3_656
Se4 Re3 Re2 117.90(3) 3_656 3_656
Se1 Re3 Re2 58.09(2) 3_656 3_656
Se2 Re3 Re2 58.31(2) . 3_656
C3 Re3 Os2 136.1(3) . 3_656
Se3 Re3 Os2 117.99(3) . 3_656
Se4 Re3 Os2 117.90(3) 3_656 3_656
Se1 Re3 Os2 58.09(2) 3_656 3_656
Se2 Re3 Os2 58.31(2) . 3_656
Re2 Re3 Os2 0.00(2) 3_656 3_656
C3 Re3 Re1 135.5(3) . 3_656
Se3 Re3 Re1 118.07(3) . 3_656
Se4 Re3 Re1 57.85(2) 3_656 3_656
Se1 Re3 Re1 57.78(2) 3_656 3_656
Se2 Re3 Re1 118.35(3) . 3_656
Re2 Re3 Re1 60.070(14) 3_656 3_656
Os2 Re3 Re1 60.070(14) 3_656 3_656
C3 Re3 Os1 135.5(3) . 3_656
Se3 Re3 Os1 118.07(3) . 3_656
Se4 Re3 Os1 57.85(2) 3_656 3_656
Se1 Re3 Os1 57.78(2) 3_656 3_656
Se2 Re3 Os1 118.35(3) . 3_656
Re2 Re3 Os1 60.070(14) 3_656 3_656
Os2 Re3 Os1 60.070(14) 3_656 3_656
Re1 Re3 Os1 0.00(2) 3_656 3_656
C3 Re3 Re1 134.6(3) . .
Se3 Re3 Re1 57.91(2) . .
Se4 Re3 Re1 117.85(3) 3_656 .
Se1 Re3 Re1 118.15(3) 3_656 .
Se2 Re3 Re1 58.07(2) . .
Re2 Re3 Re1 60.100(14) 3_656 .
Os2 Re3 Re1 60.100(14) 3_656 .
Re1 Re3 Re1 89.91(2) 3_656 .
Os1 Re3 Re1 89.91(2) 3_656 .
C3 Re3 Os1 134.6(3) . .
Se3 Re3 Os1 57.91(2) . .
Se4 Re3 Os1 117.85(3) 3_656 .
Se1 Re3 Os1 118.15(3) 3_656 .
Se2 Re3 Os1 58.07(2) . .
Re2 Re3 Os1 60.100(14) 3_656 .
Os2 Re3 Os1 60.100(14) 3_656 .
Re1 Re3 Os1 89.91(2) 3_656 .
Os1 Re3 Os1 89.91(2) 3_656 .
Re1 Re3 Os1 0.00(2) . .
C3 Re3 Os2 134.0(3) . .
Se3 Re3 Os2 58.14(2) . .
Se4 Re3 Os2 58.14(2) 3_656 .
Se1 Re3 Os2 117.71(3) 3_656 .
Se2 Re3 Os2 117.78(3) . .
Re2 Re3 Os2 89.96(2) 3_656 .
Os2 Re3 Os2 89.96(2) 3_656 .
Re1 Re3 Os2 59.951(14) 3_656 .
Os1 Re3 Os2 59.951(14) 3_656 .
Re1 Re3 Os2 59.730(14) . .
Os1 Re3 Os2 59.730(14) . .
Re1 Se1 Os1 0.00(2) . .
Re1 Se1 Re2 64.01(3) . .
Os1 Se1 Re2 64.01(3) . .
Re1 Se1 Os2 64.01(3) . .
Os1 Se1 Os2 64.01(3) . .
Re2 Se1 Os2 0.00(2) . .
Re1 Se1 Re3 63.95(3) . 3_656
Os1 Se1 Re3 63.95(3) . 3_656
Re2 Se1 Re3 63.68(3) . 3_656
Os2 Se1 Re3 63.68(3) . 3_656
Re1 Se1 Os3 63.95(3) . 3_656
Os1 Se1 Os3 63.95(3) . 3_656
Re2 Se1 Os3 63.68(3) . 3_656
Os2 Se1 Os3 63.68(3) . 3_656
Re3 Se1 Os3 0.00(3) 3_656 3_656
Re1 Se2 Os1 0.00(2) . .
Re1 Se2 Re3 63.84(3) . .
Os1 Se2 Re3 63.84(3) . .
Re1 Se2 Os3 63.84(3) . .
Os1 Se2 Os3 63.84(3) . .
Re3 Se2 Os3 0.00(3) . .
Re1 Se2 Re2 63.75(3) . 3_656
Os1 Se2 Re2 63.75(3) . 3_656
Re3 Se2 Re2 63.46(3) . 3_656
Os3 Se2 Re2 63.46(3) . 3_656
Re1 Se2 Os2 63.75(3) . 3_656
Os1 Se2 Os2 63.75(3) . 3_656
Re3 Se2 Os2 63.46(3) . 3_656
Os3 Se2 Os2 63.46(3) . 3_656
Re2 Se2 Os2 0.00(2) 3_656 3_656
Re3 Se3 Os3 0.00(3) . .
Re3 Se3 Os1 64.24(3) . .
Os3 Se3 Os1 64.24(3) . .
Re3 Se3 Re1 64.24(3) . .
Os3 Se3 Re1 64.24(3) . .
Os1 Se3 Re1 0.00(2) . .
Re3 Se3 Os2 64.24(3) . .
Os3 Se3 Os2 64.24(3) . .
Os1 Se3 Os2 63.83(3) . .
Re1 Se3 Os2 63.83(3) . .
Re3 Se3 Re2 64.24(3) . .
Os3 Se3 Re2 64.24(3) . .
Os1 Se3 Re2 63.83(3) . .
Re1 Se3 Re2 63.83(3) . .
Os2 Se3 Re2 0.00(2) . .
Re1 Se4 Os1 0.00(2) . .
Re1 Se4 Re3 64.10(3) . 3_656
Os1 Se4 Re3 64.10(3) . 3_656
Re1 Se4 Os3 64.10(3) . 3_656
Os1 Se4 Os3 64.10(3) . 3_656
Re3 Se4 Os3 0.00(3) 3_656 3_656
Re1 Se4 Os2 64.05(2) . 3_656
Os1 Se4 Os2 64.05(2) . 3_656
Re3 Se4 Os2 64.22(3) 3_656 3_656
Os3 Se4 Os2 64.22(3) 3_656 3_656
Re1 Se4 Re2 64.05(2) . 3_656
Os1 Se4 Re2 64.05(2) . 3_656
Re3 Se4 Re2 64.22(3) 3_656 3_656
Os3 Se4 Re2 64.22(3) 3_656 3_656
Os2 Se4 Re2 0.00(2) 3_656 3_656
N1 C1 Os1 179.4(8) . .
N1 C1 Re1 179.4(8) . .
Os1 C1 Re1 0.00(3) . .
N2 C2 Os2 178.9(9) . .
N2 C2 Re2 178.9(9) . .
Os2 C2 Re2 0.00(3) . .
N3 C3 Os3 179.3(11) . .
N3 C3 Re3 179.3(11) . .
Os3 C3 Re3 0.00(3) . .
C8 Co C8 179.999(1) . 3
C8 Co C10 112.1(5) . 3
C8 Co C10 67.9(5) 3 3
C8 Co C10 67.9(5) . .
C8 Co C10 112.1(5) 3 .
C10 Co C10 179.999(1) 3 .
C8 Co C9 139.9(5) . 3
C8 Co C9 40.1(5) 3 3
C10 Co C9 40.1(5) 3 3
C10 Co C9 139.9(5) . 3
C8 Co C9 40.1(5) . .
C8 Co C9 139.9(5) 3 .
C10 Co C9 139.9(5) 3 .
C10 Co C9 40.1(5) . .
C9 Co C9 180.0 3 .
C8 Co C7 139.4(6) . 3
C8 Co C7 40.6(6) 3 3
C10 Co C7 67.1(7) 3 3
C10 Co C7 112.9(7) . 3
C9 Co C7 67.0(6) 3 3
C9 Co C7 113.0(6) . 3
C8 Co C7 40.6(6) . .
C8 Co C7 139.4(6) 3 .
C10 Co C7 112.9(7) 3 .
C10 Co C7 67.1(7) . .
C9 Co C7 113.0(6) 3 .
C9 Co C7 67.0(6) . .
C7 Co C7 179.998(1) 3 .
C8 Co C11 68.8(6) . .
C8 Co C11 111.2(6) 3 .
C10 Co C11 141.6(7) 3 .
C10 Co C11 38.4(7) . .
C9 Co C11 113.5(6) 3 .
C9 Co C11 66.5(6) . .
C7 Co C11 138.4(8) 3 .
C7 Co C11 41.6(8) . .
C8 Co C11 111.2(6) . 3
C8 Co C11 68.8(6) 3 3
C10 Co C11 38.4(7) 3 3
C10 Co C11 141.6(7) . 3
C9 Co C11 66.5(6) 3 3
C9 Co C11 113.5(6) . 3
C7 Co C11 41.6(8) 3 3
C7 Co C11 138.4(8) . 3
C11 Co C11 180.0 . 3
C8 C7 C11 107.1(13) . .
C8 C7 Co 69.1(7) . .
C11 C7 Co 69.4(8) . .
C9 C8 C7 106.6(13) . .
C9 C8 Co 70.2(7) . .
C7 C8 Co 70.3(8) . .
C10 C9 C8 109.0(13) . .
C10 C9 Co 69.9(8) . .
C8 C9 Co 69.7(7) . .
C11 C10 C9 109.9(15) . .
C11 C10 Co 71.4(10) . .
C9 C10 Co 70.0(7) . .
C10 C11 C7 107.4(14) . .
C10 C11 Co 70.2(8) . .
C7 C11 Co 69.0(9) . .
C20 P C26 111.6(5) . .
C20 P C38 111.0(5) . .
C26 P C38 108.4(5) . .
C20 P C32 106.8(5) . .
C26 P C32 109.9(5) . .
C38 P C32 109.1(5) . .
C21 C20 C25 120.2(9) . .
C21 C20 P 120.5(8) . .
C25 C20 P 119.0(8) . .
C20 C21 C22 119.0(10) . .
C23 C22 C21 120.1(10) . .
C22 C23 C24 122.2(10) . .
C25 C24 C23 117.9(11) . .
C24 C25 C20 120.5(10) . .
C27 C26 C31 120.8(9) . .
C27 C26 P 120.9(8) . .
C31 C26 P 118.3(8) . .
C26 C27 C28 119.7(10) . .
C29 C28 C27 120.7(10) . .
C28 C29 C30 119.9(10) . .
C31 C30 C29 119.6(10) . .
C30 C31 C26 119.1(10) . .
C37 C32 C33 119.6(9) . .
C37 C32 P 121.8(8) . .
C33 C32 P 118.5(8) . .
C34 C33 C32 119.4(10) . .
C33 C34 C35 121.5(9) . .
C34 C35 C36 118.8(10) . .
C37 C36 C35 120.3(10) . .
C36 C37 C32 120.3(10) . .
C43 C38 C39 121.1(9) . .
C43 C38 P 120.7(8) . .
C39 C38 P 118.2(8) . .
C40 C39 C38 118.9(10) . .
C39 C40 C41 121.0(11) . .
C42 C41 C40 119.6(10) . .
C41 C42 C43 121.3(10) . .
C42 C43 C38 117.9(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Os1 C1 2.079(10) .
Os1 Se4 2.5030(10) .
Os1 Se1 2.5045(10) .
Os1 Se3 2.5090(10) .
Os1 Se2 2.5219(10) .
Os1 Re3 2.6596(5) 3_656
Os1 Os3 2.6596(5) 3_656
Os1 Re2 2.6598(5) .
Os1 Os2 2.6598(5) .
Os1 Re2 2.6649(5) 3_656
Os1 Os2 2.6649(5) 3_656
Os1 Os3 2.6672(5) .
Os2 C2 2.097(10) .
Os2 Se1 2.5140(10) .
Os2 Se3 2.5220(10) .
Os2 Se4 2.5224(10) 3_656
Os2 Se2 2.5249(10) 3_656
Os2 Re3 2.6546(5) 3_656
Os2 Os3 2.6546(5) 3_656
Os2 Re1 2.6598(5) .
Os2 Os1 2.6649(5) 3_656
Os2 Re1 2.6649(5) 3_656
Os2 Re3 2.6743(5) .
Os3 C3 2.123(12) .
Os3 Se3 2.5077(10) .
Os3 Se4 2.5085(10) 3_656
Os3 Se1 2.5178(10) 3_656
Os3 Se2 2.5228(10) .
Os3 Re2 2.6546(5) 3_656
Os3 Os2 2.6546(5) 3_656
Os3 Re1 2.6595(5) 3_656
Os3 Os1 2.6595(5) 3_656
Os3 Re1 2.6672(5) .
Re1 C1 2.079(10) .
Re1 Se4 2.5030(10) .
Re1 Se1 2.5045(10) .
Re1 Se3 2.5090(10) .
Re1 Se2 2.5219(10) .
Re1 Re3 2.6596(5) 3_656
Re1 Os3 2.6596(5) 3_656
Re1 Re2 2.6598(5) .
Re1 Re2 2.6649(5) 3_656
Re1 Os2 2.6649(5) 3_656
Re2 C2 2.097(10) .
Re2 Se1 2.5140(10) .
Re2 Se3 2.5220(10) .
Re2 Se4 2.5224(10) 3_656
Re2 Se2 2.5249(10) 3_656
Re2 Re3 2.6546(5) 3_656
Re2 Os3 2.6546(5) 3_656
Re2 Os1 2.6649(5) 3_656
Re2 Re1 2.6649(5) 3_656
Re2 Re3 2.6743(5) .
Re3 C3 2.123(12) .
Re3 Se3 2.5077(10) .
Re3 Se4 2.5085(10) 3_656
Re3 Se1 2.5178(10) 3_656
Re3 Se2 2.5228(10) .
Re3 Re2 2.6546(5) 3_656
Re3 Os2 2.6546(5) 3_656
Re3 Re1 2.6595(5) 3_656
Re3 Os1 2.6595(5) 3_656
Se1 Re3 2.5178(10) 3_656
Se1 Os3 2.5178(10) 3_656
Se2 Re2 2.5249(10) 3_656
Se2 Os2 2.5249(10) 3_656
Se4 Re3 2.5085(10) 3_656
Se4 Os3 2.5085(10) 3_656
Se4 Os2 2.5223(10) 3_656
Se4 Re2 2.5223(10) 3_656
C1 N1 1.174(13) .
C2 N2 1.151(13) .
C3 N3 1.126(13) .
Co C8 2.012(12) .
Co C8 2.012(12) 3
Co C10 2.017(13) 3
Co C10 2.017(13) .
Co C9 2.018(11) 3
Co C9 2.018(11) .
Co C7 2.027(13) 3
Co C7 2.027(13) .
Co C11 2.032(14) .
Co C11 2.032(14) 3
C7 C8 1.40(2) .
C7 C11 1.44(3) .
C8 C9 1.38(2) .
C9 C10 1.38(2) .
C10 C11 1.33(2) .
P C20 1.789(9) .
P C26 1.794(10) .
P C38 1.812(10) .
P C32 1.817(10) .
C20 C21 1.387(14) .
C20 C25 1.398(14) .
C21 C22 1.413(14) .
C22 C23 1.35(2) .
C23 C24 1.40(2) .
C24 C25 1.394(14) .
C26 C27 1.369(14) .
C26 C31 1.420(14) .
C27 C28 1.393(14) .
C28 C29 1.377(15) .
C29 C30 1.417(15) .
C30 C31 1.383(14) .
C32 C37 1.383(14) .
C32 C33 1.399(13) .
C33 C34 1.369(14) .
C34 C35 1.38(2) .
C35 C36 1.391(15) .
C36 C37 1.380(14) .
C38 C43 1.389(14) .
C38 C39 1.399(14) .
C39 C40 1.363(14) .
C40 C41 1.38(2) .
C41 C42 1.372(15) .
C42 C43 1.389(15) .
