#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/02/7000201.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_7000201
loop_
_publ_author_name
'Bruce, Michael I.'
'Burgun, Aléxandre'
'Kramarczuk, Kathy A.'
'Nicholson, Brian K.'
'Parker, Christian R.'
'Skelton, Brian W.'
'White, Allan H.'
'Zaitseva, Natasha N.'
_publ_section_title
;
 Tricyanovinylalkynyl--metal complexes: synthesis and some reactions
;
_journal_issue                   1
_journal_name_full               'Dalton Transactions'
_journal_page_first              33
_journal_page_last               36
_journal_paper_doi               10.1039/b810720c
_journal_year                    2009
_chemical_formula_moiety         'C48 H35 N3 Os P2'
_chemical_formula_sum            'C48 H35 N3 Os P2'
_chemical_formula_weight         905.93
_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_date             2007-11-27T09:38:59-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 100.126(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4883(9)
_cell_length_b                   17.556(2)
_cell_length_c                   19.604(2)
_cell_measurement_reflns_used    8147
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      37.1
_cell_measurement_theta_min      2.1
_cell_volume                     3892.3(7)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  .048
_diffrn_reflns_av_unetI/netI     0.0636
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            20385
_diffrn_reflns_theta_full        37.52
_diffrn_reflns_theta_max         37.52
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    3.397
_exptl_absorpt_correction_T_max  .75
_exptl_absorpt_correction_T_min  .55
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          .22
_exptl_crystal_size_mid          .18
_exptl_crystal_size_min          .12
_refine_diff_density_max         3.845
_refine_diff_density_min         -0.904
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.884
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         20385
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.884
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0241P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0535
_refine_ls_wR_factor_ref         0.0585
_reflns_number_gt                13379
_reflns_number_total             20385
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b810720c.txt
_cod_data_source_block           br899
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      P_1_21/n_1
_cod_database_code               7000201
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os Os 0.508921(6) 0.284129(4) 0.225558(3) 0.01642(2) Uani 1 1 d . . .
P1 P 0.48063(4) 0.16588(3) 0.17293(2) 0.01700(9) Uani 1 1 d . . .
C111 C 0.59370(16) 0.12635(11) 0.12784(9) 0.0198(4) Uani 1 1 d . . .
C112 C 0.57239(18) 0.05832(12) 0.09084(11) 0.0291(4) Uani 1 1 d . . .
H112 H 0.4978 0.0339 0.0876 0.035 Uiso 1 1 calc R . .
C113 C 0.6585(2) 0.02612(13) 0.05883(12) 0.0351(5) Uani 1 1 d . . .
H113 H 0.6432 -0.0205 0.0342 0.042 Uiso 1 1 calc R . .
C114 C 0.7671(2) 0.06182(14) 0.06264(11) 0.0343(5) Uani 1 1 d . . .
H114 H 0.8263 0.0399 0.0404 0.041 Uiso 1 1 calc R . .
C115 C 0.78894(19) 0.12911(13) 0.09873(12) 0.0341(5) Uani 1 1 d . . .
H115 H 0.8632 0.1538 0.1013 0.041 Uiso 1 1 calc R . .
C116 C 0.70241(17) 0.16105(12) 0.13155(10) 0.0252(4) Uani 1 1 d . . .
H116 H 0.7184 0.2072 0.1567 0.03 Uiso 1 1 calc R . .
C121 C 0.47274(16) 0.09379(11) 0.24083(9) 0.0213(4) Uani 1 1 d . . .
C122 C 0.39044(18) 0.10287(13) 0.28469(10) 0.0272(4) Uani 1 1 d . . .
H122 H 0.3416 0.1469 0.2806 0.033 Uiso 1 1 calc R . .
C123 C 0.3793(2) 0.04807(14) 0.33437(11) 0.0345(5) Uani 1 1 d . . .
H123 H 0.3207 0.0536 0.3627 0.041 Uiso 1 1 calc R . .
C124 C 0.4538(2) -0.01471(14) 0.34250(12) 0.0405(6) Uani 1 1 d . . .
H124 H 0.4459 -0.0525 0.3761 0.049 Uiso 1 1 calc R . .
C125 C 0.5394(2) -0.02216(13) 0.30171(12) 0.0378(6) Uani 1 1 d . . .
H125 H 0.5927 -0.064 0.3087 0.045 Uiso 1 1 calc R . .
C126 C 0.54838(19) 0.03093(12) 0.25055(11) 0.0288(4) Uani 1 1 d . . .
H126 H 0.6063 0.0245 0.2219 0.035 Uiso 1 1 calc R . .
C131 C 0.34659(15) 0.14677(11) 0.10932(9) 0.0189(3) Uani 1 1 d . . .
C132 C 0.24308(17) 0.11882(13) 0.12733(10) 0.0280(4) Uani 1 1 d . . .
H132 H 0.2413 0.1059 0.1742 0.034 Uiso 1 1 calc R . .
C133 C 0.14173(18) 0.10960(14) 0.07725(11) 0.0330(5) Uani 1 1 d . . .
H133 H 0.0714 0.0905 0.0902 0.04 Uiso 1 1 calc R . .
C134 C 0.14281(18) 0.12802(13) 0.00908(11) 0.0296(5) Uani 1 1 d . . .
H134 H 0.0732 0.1223 -0.0248 0.036 Uiso 1 1 calc R . .
C135 C 0.24577(17) 0.15486(12) -0.00986(10) 0.0250(4) Uani 1 1 d . . .
H135 H 0.2471 0.1668 -0.057 0.03 Uiso 1 1 calc R . .
C136 C 0.34727(16) 0.16449(11) 0.03967(9) 0.0211(4) Uani 1 1 d . . .
H136 H 0.4175 0.1832 0.0262 0.025 Uiso 1 1 calc R . .
P2 P 0.47580(4) 0.36103(3) 0.12791(2) 0.01790(9) Uani 1 1 d . . .
C211 C 0.56888(17) 0.34515(11) 0.06246(10) 0.0223(4) Uani 1 1 d . . .
C212 C 0.69081(18) 0.34019(12) 0.08448(11) 0.0286(4) Uani 1 1 d . . .
H212 H 0.7227 0.345 0.1324 0.034 Uiso 1 1 calc R . .
C213 C 0.7665(2) 0.32832(14) 0.03739(13) 0.0383(6) Uani 1 1 d . . .
H213 H 0.8495 0.3258 0.0532 0.046 Uiso 1 1 calc R . .
C214 C 0.7213(2) 0.32028(15) -0.03199(14) 0.0428(6) Uani 1 1 d . . .
H214 H 0.7729 0.312 -0.0642 0.051 Uiso 1 1 calc R . .
C215 C 0.6013(2) 0.32421(15) -0.05465(13) 0.0421(6) Uani 1 1 d . . .
H215 H 0.5704 0.3183 -0.1026 0.051 Uiso 1 1 calc R . .
C216 C 0.5241(2) 0.33686(13) -0.00795(11) 0.0308(5) Uani 1 1 d . . .
H216 H 0.4413 0.3398 -0.0242 0.037 Uiso 1 1 calc R . .
C221 C 0.51217(16) 0.45929(11) 0.15637(10) 0.0228(4) Uani 1 1 d . . .
C222 C 0.44842(19) 0.49173(12) 0.20382(11) 0.0293(4) Uani 1 1 d . . .
H222 H 0.3842 0.4645 0.2168 0.035 Uiso 1 1 calc R . .
C223 C 0.4778(2) 0.56272(14) 0.23195(12) 0.0402(6) Uani 1 1 d . . .
H223 H 0.4337 0.5842 0.2639 0.048 Uiso 1 1 calc R . .
C224 C 0.5717(2) 0.60277(14) 0.21358(14) 0.0449(6) Uani 1 1 d . . .
H224 H 0.5938 0.6508 0.2342 0.054 Uiso 1 1 calc R . .
C225 C 0.6332(2) 0.57249(14) 0.16504(14) 0.0419(6) Uani 1 1 d . . .
H225 H 0.6962 0.6004 0.1515 0.05 Uiso 1 1 calc R . .
C226 C 0.60284(18) 0.50135(12) 0.13629(12) 0.0302(5) Uani 1 1 d . . .
H226 H 0.6445 0.4813 0.1025 0.036 Uiso 1 1 calc R . .
C231 C 0.32791(16) 0.37665(11) 0.07602(9) 0.0195(4) Uani 1 1 d . . .
C232 C 0.23658(16) 0.32425(11) 0.07468(9) 0.0207(4) Uani 1 1 d . . .
H232 H 0.2487 0.2801 0.1031 0.025 Uiso 1 1 calc R . .
C233 C 0.12781(17) 0.33597(12) 0.03211(10) 0.0257(4) Uani 1 1 d . . .
H233 H 0.0665 0.2994 0.031 0.031 Uiso 1 1 calc R . .
C234 C 0.10841(18) 0.40064(13) -0.00864(10) 0.0297(5) Uani 1 1 d . . .
H234 H 0.0342 0.4083 -0.038 0.036 Uiso 1 1 calc R . .
C235 C 0.19766(19) 0.45422(13) -0.00647(11) 0.0303(5) Uani 1 1 d . . .
H235 H 0.1841 0.499 -0.0339 0.036 Uiso 1 1 calc R . .
C236 C 0.30656(18) 0.44270(12) 0.03550(10) 0.0261(4) Uani 1 1 d . . .
H236 H 0.3671 0.4798 0.0368 0.031 Uiso 1 1 calc R . .
C1 C 0.34428(15) 0.29010(11) 0.23277(9) 0.0190(3) Uani 1 1 d . . .
C2 C 0.24456(17) 0.29706(12) 0.24728(10) 0.0237(4) Uani 1 1 d . . .
C3 C 0.14245(16) 0.31131(12) 0.27314(10) 0.0229(4) Uani 1 1 d . . .
C31 C 0.03194(16) 0.29138(12) 0.22862(10) 0.0244(4) Uani 1 1 d . . .
N31 N -0.05359(16) 0.27574(11) 0.19221(11) 0.0356(4) Uani 1 1 d . . .
C4 C 0.13837(17) 0.34306(14) 0.33750(11) 0.0306(5) Uani 1 1 d . . .
C41 C 0.2464(2) 0.36478(17) 0.38034(12) 0.0458(7) Uani 1 1 d . . .
N41 N 0.3361(2) 0.38034(18) 0.41247(12) 0.0722(9) Uani 1 1 d . . .
C42 C 0.0296(2) 0.35307(15) 0.36241(12) 0.0371(5) Uani 1 1 d . . .
N42 N -0.05831(19) 0.35957(15) 0.38094(12) 0.0545(6) Uani 1 1 d . . .
C101 C 0.5570(2) 0.27864(15) 0.34091(11) 0.0378(6) Uani 1 1 d . . .
H101 H 0.5037 0.2589 0.3685 0.045 Uiso 1 1 calc R . .
C102 C 0.6405(2) 0.23607(14) 0.31318(13) 0.0443(7) Uani 1 1 d . . .
H102 H 0.6528 0.1827 0.318 0.053 Uiso 1 1 calc R . .
C103 C 0.70382(18) 0.28700(17) 0.27646(12) 0.0440(7) Uani 1 1 d . . .
H103 H 0.7665 0.2742 0.2528 0.053 Uiso 1 1 calc R . .
C104 C 0.6556(2) 0.35976(15) 0.28202(11) 0.0375(6) Uani 1 1 d . . .
H104 H 0.6805 0.4051 0.2623 0.045 Uiso 1 1 calc R . .
C105 C 0.56452(18) 0.35498(13) 0.32141(10) 0.0300(5) Uani 1 1 d . . .
H105 H 0.5171 0.3959 0.3327 0.036 Uiso 1 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 0 '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'
Os Os -1.2165 7.603 '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'
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
C1 Os C101 89.95(8) . . ?
C1 Os C102 120.19(10) . . ?
C101 Os C102 36.42(9) . . ?
C1 Os C105 92.69(8) . . ?
C101 Os C105 36.40(8) . . ?
C102 Os C105 60.95(9) . . ?
C1 Os C104 125.89(9) . . ?
C101 Os C104 60.16(8) . . ?
C102 Os C104 60.34(9) . . ?
C105 Os C104 36.26(8) . . ?
C1 Os C103 150.08(8) . . ?
C101 Os C103 60.68(9) . . ?
C102 Os C103 36.66(10) . . ?
C105 Os C103 60.72(8) . . ?
C104 Os C103 35.87(9) . . ?
C1 Os P1 91.08(6) . . ?
C101 Os P1 113.75(7) . . ?
C102 Os P1 91.54(6) . . ?
C105 Os P1 149.84(6) . . ?
C104 Os P1 140.73(7) . . ?
C103 Os P1 105.32(7) . . ?
C1 Os P2 90.47(5) . . ?
C101 Os P2 146.77(7) . . ?
C102 Os P2 147.33(8) . . ?
C105 Os P2 110.42(6) . . ?
C104 Os P2 93.55(6) . . ?
C103 Os P2 110.71(7) . . ?
P1 Os P2 99.458(18) . . ?
C111 P1 C131 100.64(8) . . ?
C111 P1 C121 102.52(9) . . ?
C131 P1 C121 102.86(8) . . ?
C111 P1 Os 119.92(6) . . ?
C131 P1 Os 120.15(6) . . ?
C121 P1 Os 108.26(6) . . ?
C116 C111 C112 118.64(17) . . ?
C116 C111 P1 121.30(15) . . ?
C112 C111 P1 120.02(15) . . ?
C113 C112 C111 120.8(2) . . ?
C113 C112 H112 119.6 . . ?
C111 C112 H112 119.6 . . ?
C112 C113 C114 120.0(2) . . ?
C112 C113 H113 120 . . ?
C114 C113 H113 120 . . ?
C115 C114 C113 119.7(2) . . ?
C115 C114 H114 120.1 . . ?
C113 C114 H114 120.1 . . ?
C114 C115 C116 120.2(2) . . ?
C114 C115 H115 119.9 . . ?
C116 C115 H115 119.9 . . ?
C111 C116 C115 120.71(19) . . ?
C111 C116 H116 119.6 . . ?
C115 C116 H116 119.6 . . ?
C122 C121 C126 118.64(19) . . ?
C122 C121 P1 119.32(15) . . ?
C126 C121 P1 122.04(16) . . ?
C123 C122 C121 120.6(2) . . ?
C123 C122 H122 119.7 . . ?
C121 C122 H122 119.7 . . ?
C124 C123 C122 119.9(2) . . ?
C124 C123 H123 120 . . ?
C122 C123 H123 120 . . ?
C125 C124 C123 119.8(2) . . ?
C125 C124 H124 120.1 . . ?
C123 C124 H124 120.1 . . ?
C124 C125 C126 120.5(2) . . ?
C124 C125 H125 119.8 . . ?
C126 C125 H125 119.8 . . ?
C125 C126 C121 120.4(2) . . ?
C125 C126 H126 119.8 . . ?
C121 C126 H126 119.8 . . ?
C132 C131 C136 118.54(17) . . ?
C132 C131 P1 123.11(14) . . ?
C136 C131 P1 118.29(14) . . ?
C131 C132 C133 120.58(19) . . ?
C131 C132 H132 119.7 . . ?
C133 C132 H132 119.7 . . ?
C134 C133 C132 120.5(2) . . ?
C134 C133 H133 119.8 . . ?
C132 C133 H133 119.8 . . ?
C133 C134 C135 119.64(18) . . ?
C133 C134 H134 120.2 . . ?
C135 C134 H134 120.2 . . ?
C134 C135 C136 120.38(18) . . ?
C134 C135 H135 119.8 . . ?
C136 C135 H135 119.8 . . ?
C135 C136 C131 120.38(18) . . ?
C135 C136 H136 119.8 . . ?
C131 C136 H136 119.8 . . ?
C211 P2 C221 103.06(9) . . ?
C211 P2 C231 103.39(9) . . ?
C221 P2 C231 99.57(9) . . ?
C211 P2 Os 117.31(6) . . ?
C221 P2 Os 107.47(6) . . ?
C231 P2 Os 122.99(6) . . ?
C216 C211 C212 118.41(18) . . ?
C216 C211 P2 123.44(15) . . ?
C212 C211 P2 118.14(15) . . ?
C213 C212 C211 121.0(2) . . ?
C213 C212 H212 119.5 . . ?
C211 C212 H212 119.5 . . ?
C214 C213 C212 120.0(2) . . ?
C214 C213 H213 120 . . ?
C212 C213 H213 120 . . ?
C215 C214 C213 119.9(2) . . ?
C215 C214 H214 120.1 . . ?
C213 C214 H214 120.1 . . ?
C214 C215 C216 120.8(2) . . ?
C214 C215 H215 119.6 . . ?
C216 C215 H215 119.6 . . ?
C211 C216 C215 119.9(2) . . ?
C211 C216 H216 120 . . ?
C215 C216 H216 120 . . ?
C226 C221 C222 118.52(19) . . ?
C226 C221 P2 123.68(16) . . ?
C222 C221 P2 117.72(15) . . ?
C223 C222 C221 120.8(2) . . ?
C223 C222 H222 119.6 . . ?
C221 C222 H222 119.6 . . ?
C222 C223 C224 120.0(2) . . ?
C222 C223 H223 120 . . ?
C224 C223 H223 120 . . ?
C225 C224 C223 119.8(2) . . ?
C225 C224 H224 120.1 . . ?
C223 C224 H224 120.1 . . ?
C224 C225 C226 120.1(2) . . ?
C224 C225 H225 120 . . ?
C226 C225 H225 120 . . ?
C221 C226 C225 120.7(2) . . ?
C221 C226 H226 119.7 . . ?
C225 C226 H226 119.7 . . ?
C232 C231 C236 118.66(17) . . ?
C232 C231 P2 122.08(14) . . ?
C236 C231 P2 119.25(14) . . ?
C233 C232 C231 120.55(18) . . ?
C233 C232 H232 119.7 . . ?
C231 C232 H232 119.7 . . ?
C234 C233 C232 120.30(19) . . ?
C234 C233 H233 119.9 . . ?
C232 C233 H233 119.9 . . ?
C233 C234 C235 119.72(18) . . ?
C233 C234 H234 120.1 . . ?
C235 C234 H234 120.1 . . ?
C236 C235 C234 120.3(2) . . ?
C236 C235 H235 119.8 . . ?
C234 C235 H235 119.8 . . ?
C235 C236 C231 120.44(19) . . ?
C235 C236 H236 119.8 . . ?
C231 C236 H236 119.8 . . ?
C2 C1 Os 170.64(16) . . ?
C1 C2 C3 170.4(2) . . ?
C2 C3 C4 125.01(18) . . ?
C2 C3 C31 116.45(18) . . ?
C4 C3 C31 118.54(17) . . ?
N31 C31 C3 178.3(2) . . ?
C3 C4 C41 118.61(18) . . ?
C3 C4 C42 122.07(19) . . ?
C41 C4 C42 119.3(2) . . ?
N41 C41 C4 176.6(3) . . ?
N42 C42 C4 178.1(3) . . ?
C102 C101 C105 109.0(2) . . ?
C102 C101 Os 72.18(13) . . ?
C105 C101 Os 72.46(11) . . ?
C102 C101 H101 125.5 . . ?
C105 C101 H101 125.5 . . ?
Os C101 H101 121.5 . . ?
C101 C102 C103 107.9(2) . . ?
C101 C102 Os 71.40(12) . . ?
C103 C102 Os 73.29(13) . . ?
C101 C102 H102 126.1 . . ?
C103 C102 H102 126.1 . . ?
Os C102 H102 121 . . ?
C104 C103 C102 106.7(2) . . ?
C104 C103 Os 71.60(12) . . ?
C102 C103 Os 70.05(12) . . ?
C104 C103 H103 126.6 . . ?
C102 C103 H103 126.6 . . ?
Os C103 H103 123.4 . . ?
C103 C104 C105 109.3(2) . . ?
C103 C104 Os 72.53(12) . . ?
C105 C104 Os 70.95(11) . . ?
C103 C104 H104 125.4 . . ?
C105 C104 H104 125.4 . . ?
Os C104 H104 122.8 . . ?
C101 C105 C104 107.1(2) . . ?
C101 C105 Os 71.15(12) . . ?
C104 C105 Os 72.79(12) . . ?
C101 C105 H105 126.4 . . ?
C104 C105 H105 126.4 . . ?
Os C105 H105 121.4 . . ?
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
Os C1 1.9242(18) . ?
Os C101 2.234(2) . ?
Os C102 2.244(2) . ?
Os C105 2.2504(19) . ?
Os C104 2.274(2) . ?
Os C103 2.286(2) . ?
Os P1 2.3157(5) . ?
Os P2 2.3186(5) . ?
P1 C111 1.8314(18) . ?
P1 C131 1.8339(17) . ?
P1 C121 1.8505(19) . ?
C111 C116 1.380(3) . ?
C111 C112 1.396(3) . ?
C112 C113 1.382(3) . ?
C112 H112 0.95 . ?
C113 C114 1.387(3) . ?
C113 H113 0.95 . ?
C114 C115 1.377(3) . ?
C114 H114 0.95 . ?
C115 C116 1.393(3) . ?
C115 H115 0.95 . ?
C116 H116 0.95 . ?
C121 C122 1.394(3) . ?
C121 C126 1.397(3) . ?
C122 C123 1.391(3) . ?
C122 H122 0.95 . ?
C123 C124 1.388(4) . ?
C123 H123 0.95 . ?
C124 C125 1.379(4) . ?
C124 H124 0.95 . ?
C125 C126 1.386(3) . ?
C125 H125 0.95 . ?
C126 H126 0.95 . ?
C131 C132 1.388(3) . ?
C131 C136 1.402(2) . ?
C132 C133 1.394(3) . ?
C132 H132 0.95 . ?
C133 C134 1.377(3) . ?
C133 H133 0.95 . ?
C134 C135 1.383(3) . ?
C134 H134 0.95 . ?
C135 C136 1.390(2) . ?
C135 H135 0.95 . ?
C136 H136 0.95 . ?
P2 C211 1.8302(19) . ?
P2 C221 1.839(2) . ?
P2 C231 1.8409(18) . ?
C211 C216 1.393(3) . ?
C211 C212 1.394(3) . ?
C212 C213 1.391(3) . ?
C212 H212 0.95 . ?
C213 C214 1.375(3) . ?
C213 H213 0.95 . ?
C214 C215 1.374(4) . ?
C214 H214 0.95 . ?
C215 C216 1.400(3) . ?
C215 H215 0.95 . ?
C216 H216 0.95 . ?
C221 C226 1.389(3) . ?
C221 C222 1.402(3) . ?
C222 C223 1.381(3) . ?
C222 H222 0.95 . ?
C223 C224 1.387(4) . ?
C223 H223 0.95 . ?
C224 C225 1.387(4) . ?
C224 H224 0.95 . ?
C225 C226 1.389(3) . ?
C225 H225 0.95 . ?
C226 H226 0.95 . ?
C231 C232 1.392(3) . ?
C231 C236 1.403(3) . ?
C232 C233 1.391(3) . ?
C232 H232 0.95 . ?
C233 C234 1.384(3) . ?
C233 H233 0.95 . ?
C234 C235 1.387(3) . ?
C234 H234 0.95 . ?
C235 C236 1.386(3) . ?
C235 H235 0.95 . ?
C236 H236 0.95 . ?
C1 C2 1.234(3) . ?
C2 C3 1.380(3) . ?
C3 C4 1.388(3) . ?
C3 C31 1.451(3) . ?
C31 N31 1.142(3) . ?
C4 C41 1.423(3) . ?
C4 C42 1.431(3) . ?
C41 N41 1.142(3) . ?
C42 N42 1.137(3) . ?
C101 C102 1.399(4) . ?
C101 C105 1.401(3) . ?
C101 H101 0.95 . ?
C102 C103 1.425(4) . ?
C102 H102 0.95 . ?
C103 C104 1.404(3) . ?
C103 H103 0.95 . ?
C104 C105 1.408(3) . ?
C104 H104 0.95 . ?
C105 H105 0.95 . ?
