#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:25:53 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180078 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/24/7052415.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_7052415
loop_
_publ_author_name
'Ferrando-Miguel, German'
'Wu, Peng'
'Huffman, John C.'
'Caulton, Kenneth G.'
_publ_section_title
;
 New d4 dihydrides of Ru(iv) and Os(iv) with ?-donor ligands:
 M(H)2(chelate)(PiPr3)2 with chelate =ortho-XYC6H4 with X, Y = O, NR; R
 = H or CH3
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              193
_journal_paper_doi               10.1039/b411487f
_journal_volume                  29
_journal_year                    2005
_chemical_formula_sum            'C25 H52 N2 Os P2'
_chemical_formula_weight         632.83
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.4220(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9882(3)
_cell_length_b                   21.8475(9)
_cell_length_c                   14.1438(6)
_cell_measurement_reflns_used    7153
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.36
_cell_volume                     2754.14(19)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999), XTEL (local package)'
_computing_molecular_graphics    'XMView; WMView; (local package)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 44.52
_diffrn_detector_type            'Bruker SMART 6000'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
'   0.30 degree frames measured for  30.16 seconds each'
_diffrn_measurement_device       'three-circle goniometer with fixed chi'
_diffrn_measurement_device_type  'Bruker Platform goniometer'
_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  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22120
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         2.29
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_time  640
_diffrn_standards_number         7154
_exptl_absorpt_coefficient_mu    4.761
_exptl_absorpt_correction_T_max  0.7019
_exptl_absorpt_correction_T_min  0.3293
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.797
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.120
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.265(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     576
_refine_ls_number_reflns         12431
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0322
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0324P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0674
_refine_ls_wR_factor_ref         0.0698
_reflns_number_gt                11366
_reflns_number_total             12431
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b411487f.txt
_cod_data_source_block           01088
_cod_database_code               7052415
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_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
Os1 Os 0.59435(2) 0.817288(10) 0.043948(14) 0.01623(5) Uani 1 1 d . . .
N2 N 0.7947(6) 0.8534(3) 0.0286(4) 0.0226(11) Uani 1 1 d . . .
C3 C 0.8144(8) 0.9162(3) 0.0354(5) 0.0252(15) Uani 1 1 d . . .
C4 C 0.9473(8) 0.9480(4) 0.0298(5) 0.0306(17) Uani 1 1 d . . .
H4 H 1.0360 0.9269 0.0190 0.037 Uiso 1 1 calc R . .
C5 C 0.9477(9) 1.0108(4) 0.0402(6) 0.0368(19) Uani 1 1 d . . .
H5 H 1.0382 1.0328 0.0374 0.044 Uiso 1 1 calc R . .
C6 C 0.8170(9) 1.0429(4) 0.0549(6) 0.0389(19) Uani 1 1 d . . .
H6 H 0.8191 1.0862 0.0614 0.047 Uiso 1 1 calc R . .
C7 C 0.6857(9) 1.0109(3) 0.0597(6) 0.0349(18) Uani 1 1 d . . .
H7 H 0.5975 1.0325 0.0700 0.042 Uiso 1 1 calc R . .
C8 C 0.6806(8) 0.9470(3) 0.0496(5) 0.0238(14) Uani 1 1 d . . .
N9 N 0.5592(6) 0.9092(3) 0.0539(4) 0.0217(11) Uani 1 1 d . . .
C10 C 0.4187(8) 0.9400(4) 0.0658(6) 0.0332(17) Uani 1 1 d . . .
H10A H 0.4296 0.9615 0.1272 0.050 Uiso 1 1 calc R . .
H10B H 0.3381 0.9097 0.0642 0.050 Uiso 1 1 calc R . .
H10C H 0.3940 0.9696 0.0141 0.050 Uiso 1 1 calc R . .
P11 P 0.49357(16) 0.78272(8) 0.17582(11) 0.0186(3) Uani 1 1 d . . .
C12 C 0.6146(7) 0.8098(4) 0.2851(4) 0.0284(15) Uani 1 1 d . . .
H12 H 0.5765 0.7903 0.3413 0.034 Uiso 1 1 calc R . .
C13 C 0.6060(8) 0.8787(3) 0.2976(5) 0.0347(17) Uani 1 1 d . . .
H13A H 0.6735 0.8911 0.3545 0.052 Uiso 1 1 calc R . .
H13B H 0.5029 0.8904 0.3051 0.052 Uiso 1 1 calc R . .
H13C H 0.6362 0.8991 0.2414 0.052 Uiso 1 1 calc R . .
C14 C 0.7773(8) 0.7890(4) 0.2848(6) 0.0375(19) Uani 1 1 d . . .
H14A H 0.8204 0.8099 0.2334 0.056 Uiso 1 1 calc R . .
H14B H 0.7798 0.7446 0.2747 0.056 Uiso 1 1 calc R . .
H14C H 0.8357 0.7992 0.3462 0.056 Uiso 1 1 calc R . .
C15 C 0.3058(6) 0.8121(4) 0.1988(4) 0.0235(12) Uani 1 1 d . . .
H15 H 0.3177 0.8576 0.2031 0.028 Uiso 1 1 calc R . .
C16 C 0.1789(7) 0.8017(4) 0.1196(5) 0.038(2) Uani 1 1 d . . .
H16A H 0.1572 0.7578 0.1137 0.057 Uiso 1 1 calc R . .
H16B H 0.2077 0.8171 0.0594 0.057 Uiso 1 1 calc R . .
H16C H 0.0893 0.8235 0.1342 0.057 Uiso 1 1 calc R . .
C17 C 0.2539(7) 0.7932(3) 0.2929(5) 0.0308(15) Uani 1 1 d . . .
H17A H 0.1619 0.8153 0.3015 0.046 Uiso 1 1 calc R . .
H17B H 0.3323 0.8029 0.3455 0.046 Uiso 1 1 calc R . .
H17C H 0.2342 0.7490 0.2921 0.046 Uiso 1 1 calc R . .
C18 C 0.4956(8) 0.6983(3) 0.1954(5) 0.0304(15) Uani 1 1 d . . .
H18 H 0.5884 0.6835 0.1706 0.036 Uiso 1 1 calc R . .
C19 C 0.5093(8) 0.6753(3) 0.2997(5) 0.0354(17) Uani 1 1 d . . .
H19A H 0.4225 0.6893 0.3291 0.053 Uiso 1 1 calc R . .
H19B H 0.6015 0.6915 0.3355 0.053 Uiso 1 1 calc R . .
H19C H 0.5127 0.6304 0.3004 0.053 Uiso 1 1 calc R . .
C20 C 0.3680(9) 0.6659(4) 0.1360(6) 0.043(2) Uani 1 1 d . . .
H20A H 0.3937 0.6226 0.1298 0.064 Uiso 1 1 calc R . .
H20B H 0.3504 0.6847 0.0727 0.064 Uiso 1 1 calc R . .
H20C H 0.2770 0.6692 0.1671 0.064 Uiso 1 1 calc R . .
P21 P 0.58042(17) 0.75334(8) -0.08467(11) 0.0193(3) Uani 1 1 d . . .
C22 C 0.6074(9) 0.7973(3) -0.1947(5) 0.0303(16) Uani 1 1 d . . .
H22 H 0.5544 0.7739 -0.2498 0.036 Uiso 1 1 calc R . .
C23 C 0.5330(9) 0.8599(4) -0.1958(6) 0.046(2) Uani 1 1 d . . .
H23A H 0.5927 0.8870 -0.1505 0.069 Uiso 1 1 calc R . .
H23B H 0.4319 0.8556 -0.1775 0.069 Uiso 1 1 calc R . .
H23C H 0.5263 0.8774 -0.2600 0.069 Uiso 1 1 calc R . .
C24 C 0.7673(8) 0.8062(4) -0.2148(6) 0.0419(18) Uani 1 1 d . . .
H24A H 0.7672 0.8281 -0.2752 0.063 Uiso 1 1 calc R . .
H24B H 0.8153 0.7662 -0.2189 0.063 Uiso 1 1 calc R . .
H24C H 0.8228 0.8300 -0.1631 0.063 Uiso 1 1 calc R . .
C25 C 0.4017(7) 0.7131(3) -0.1242(5) 0.0293(15) Uani 1 1 d . . .
H25 H 0.3805 0.6873 -0.0691 0.035 Uiso 1 1 calc R . .
C26 C 0.2669(7) 0.7534(5) -0.1482(6) 0.051(2) Uani 1 1 d . . .
H26A H 0.2756 0.7757 -0.2074 0.076 Uiso 1 1 calc R . .
H26B H 0.2611 0.7827 -0.0963 0.076 Uiso 1 1 calc R . .
H26C H 0.1759 0.7282 -0.1565 0.076 Uiso 1 1 calc R . .
C27 C 0.4068(9) 0.6682(3) -0.2094(5) 0.0359(17) Uani 1 1 d . . .
H27A H 0.3190 0.6413 -0.2147 0.054 Uiso 1 1 calc R . .
H27B H 0.4984 0.6435 -0.1986 0.054 Uiso 1 1 calc R . .
H27C H 0.4061 0.6917 -0.2685 0.054 Uiso 1 1 calc R . .
C28 C 0.7177(8) 0.6895(3) -0.0821(5) 0.0303(15) Uani 1 1 d . . .
H28 H 0.7204 0.6758 -0.1493 0.036 Uiso 1 1 calc R . .
C29 C 0.8787(7) 0.7069(4) -0.0402(6) 0.0377(17) Uani 1 1 d . . .
H29A H 0.8802 0.7191 0.0266 0.057 Uiso 1 1 calc R . .
H29B H 0.9133 0.7411 -0.0766 0.057 Uiso 1 1 calc R . .
H29C H 0.9451 0.6717 -0.0440 0.057 Uiso 1 1 calc R . .
C30 C 0.6716(8) 0.6344(3) -0.0256(5) 0.0316(16) Uani 1 1 d . . .
H30A H 0.7481 0.6023 -0.0246 0.047 Uiso 1 1 calc R . .
H30B H 0.5751 0.6186 -0.0559 0.047 Uiso 1 1 calc R . .
H30C H 0.6623 0.6470 0.0398 0.047 Uiso 1 1 calc R . .
Os31 Os 0.85878(2) 0.476691(10) 0.455076(15) 0.01868(5) Uani 1 1 d . . .
N32 N 0.6615(7) 0.4375(3) 0.4677(4) 0.0278(12) Uani 1 1 d . . .
C33 C 0.6472(8) 0.3751(4) 0.4628(5) 0.0277(17) Uani 1 1 d . . .
C34 C 0.5187(9) 0.3406(4) 0.4691(5) 0.0361(18) Uani 1 1 d . . .
H34 H 0.4270 0.3603 0.4773 0.043 Uiso 1 1 calc R . .
C35 C 0.5256(10) 0.2772(4) 0.4634(6) 0.043(2) Uani 1 1 d . . .
H35 H 0.4382 0.2536 0.4682 0.051 Uiso 1 1 calc R . .
C36 C 0.6565(11) 0.2483(4) 0.4509(6) 0.043(2) Uani 1 1 d . . .
H36 H 0.6588 0.2049 0.4472 0.052 Uiso 1 1 calc R . .
C37 C 0.7855(10) 0.2813(4) 0.4434(6) 0.040(2) Uani 1 1 d . . .
H37 H 0.8755 0.2607 0.4341 0.048 Uiso 1 1 calc R . .
C38 C 0.7837(8) 0.3462(4) 0.4497(5) 0.0284(15) Uani 1 1 d . . .
N39 N 0.9014(6) 0.3853(3) 0.4432(4) 0.0266(13) Uani 1 1 d . . .
C40 C 1.0443(9) 0.3561(4) 0.4338(6) 0.0374(19) Uani 1 1 d . . .
H40A H 1.0712 0.3282 0.4877 0.056 Uiso 1 1 calc R . .
H40B H 1.1221 0.3874 0.4334 0.056 Uiso 1 1 calc R . .
H40C H 1.0358 0.3329 0.3741 0.056 Uiso 1 1 calc R . .
P41 P 0.96484(17) 0.51495(8) 0.32716(11) 0.0194(3) Uani 1 1 d . . .
C42 C 1.1511(6) 0.4850(4) 0.3040(4) 0.0251(14) Uani 1 1 d . . .
H42 H 1.1362 0.4398 0.2956 0.030 Uiso 1 1 calc R . .
C43 C 1.2075(7) 0.5066(4) 0.2118(5) 0.0308(15) Uani 1 1 d . . .
H43A H 1.2272 0.5507 0.2157 0.046 Uiso 1 1 calc R . .
H43B H 1.1312 0.4981 0.1575 0.046 Uiso 1 1 calc R . .
H43C H 1.3003 0.4848 0.2034 0.046 Uiso 1 1 calc R . .
C44 C 1.2799(7) 0.4916(5) 0.3879(5) 0.044(2) Uani 1 1 d . . .
H60A H 1.3616 0.4635 0.3782 0.066 Uiso 1 1 calc R . .
H60B H 1.2420 0.4817 0.4480 0.066 Uiso 1 1 calc R . .
H60C H 1.3174 0.5338 0.3903 0.066 Uiso 1 1 calc R . .
C45 C 0.8468(7) 0.4912(3) 0.2144(4) 0.0235(16) Uani 1 1 d . . .
H44 H 0.8852 0.5127 0.1600 0.028 Uiso 1 1 calc R . .
C46 C 0.8559(8) 0.4215(4) 0.1974(5) 0.0344(17) Uani 1 1 d . . .
H46A H 0.8281 0.3995 0.2530 0.052 Uiso 1 1 calc R . .
H46B H 0.9586 0.4105 0.1878 0.052 Uiso 1 1 calc R . .
H46C H 0.7869 0.4102 0.1407 0.052 Uiso 1 1 calc R . .
C47 C 0.6830(7) 0.5108(4) 0.2166(5) 0.040(2) Uani 1 1 d . . .
H45A H 0.6237 0.5008 0.1554 0.061 Uiso 1 1 calc R . .
H45B H 0.6789 0.5550 0.2277 0.061 Uiso 1 1 calc R . .
H45C H 0.6419 0.4890 0.2680 0.061 Uiso 1 1 calc R . .
C48 C 0.9720(9) 0.5997(3) 0.3138(6) 0.0347(18) Uani 1 1 d . . .
H47 H 0.8825 0.6155 0.3414 0.042 Uiso 1 1 calc R . .
C49 C 1.1082(10) 0.6271(5) 0.3761(7) 0.052(3) Uani 1 1 d . . .
H48A H 1.1964 0.6247 0.3422 0.077 Uiso 1 1 calc R . .
H48B H 1.1272 0.6040 0.4359 0.077 Uiso 1 1 calc R . .
H48C H 1.0879 0.6700 0.3901 0.077 Uiso 1 1 calc R . .
C50 C 0.9584(9) 0.6258(4) 0.2133(6) 0.047(2) Uani 1 1 d . . .
H49A H 0.9717 0.6703 0.2165 0.070 Uiso 1 1 calc R . .
H49B H 0.8590 0.6162 0.1795 0.070 Uiso 1 1 calc R . .
H49C H 1.0358 0.6078 0.1791 0.070 Uiso 1 1 calc R . .
P51 P 0.86806(17) 0.53743(8) 0.58759(11) 0.0199(3) Uani 1 1 d . . .
C52 C 0.9207(8) 0.6196(3) 0.5859(5) 0.0268(14) Uani 1 1 d . . .
H51 H 1.0153 0.6206 0.5557 0.032 Uiso 1 1 calc R . .
C53 C 0.8099(10) 0.6593(4) 0.5218(6) 0.048(2) Uani 1 1 d . . .
H52A H 0.7302 0.6733 0.5578 0.072 Uiso 1 1 calc R . .
H52B H 0.7657 0.6352 0.4667 0.072 Uiso 1 1 calc R . .
H52C H 0.8625 0.6947 0.4996 0.072 Uiso 1 1 calc R . .
C54 C 0.9613(9) 0.6509(3) 0.6842(5) 0.0396(17) Uani 1 1 d . . .
H53A H 1.0097 0.6903 0.6756 0.059 Uiso 1 1 calc R . .
H53B H 1.0300 0.6245 0.7255 0.059 Uiso 1 1 calc R . .
H53C H 0.8697 0.6575 0.7136 0.059 Uiso 1 1 calc R . .
C55 C 0.6895(8) 0.5304(4) 0.6413(5) 0.0359(16) Uani 1 1 d . . .
H54 H 0.6648 0.4857 0.6374 0.043 Uiso 1 1 calc R . .
C56 C 0.5575(8) 0.5616(4) 0.5814(6) 0.051(2) Uani 1 1 d . . .
H55A H 0.4636 0.5421 0.5937 0.076 Uiso 1 1 calc R . .
H55B H 0.5686 0.5577 0.5137 0.076 Uiso 1 1 calc R . .
H55C H 0.5554 0.6050 0.5986 0.076 Uiso 1 1 calc R . .
C57 C 0.6955(10) 0.5464(4) 0.7475(6) 0.051(2) Uani 1 1 d . . .
H56A H 0.7209 0.5898 0.7570 0.076 Uiso 1 1 calc R . .
H56B H 0.7720 0.5212 0.7848 0.076 Uiso 1 1 calc R . .
H56C H 0.5975 0.5384 0.7683 0.076 Uiso 1 1 calc R . .
C58 C 1.0056(9) 0.5083(4) 0.6875(5) 0.0328(17) Uani 1 1 d . . .
H57 H 0.9883 0.5310 0.7465 0.039 Uiso 1 1 calc R . .
C59 C 0.9817(11) 0.4405(4) 0.7057(6) 0.044(2) Uani 1 1 d . . .
H58A H 0.9973 0.4170 0.6488 0.066 Uiso 1 1 calc R . .
H58B H 0.8792 0.4340 0.7201 0.066 Uiso 1 1 calc R . .
H58C H 1.0533 0.4269 0.7598 0.066 Uiso 1 1 calc R . .
C60 C 1.1703(8) 0.5202(4) 0.6702(6) 0.0396(18) Uani 1 1 d . . .
H59A H 1.2385 0.5076 0.7265 0.059 Uiso 1 1 calc R . .
H59B H 1.1839 0.5639 0.6584 0.059 Uiso 1 1 calc R . .
H59C H 1.1922 0.4967 0.6146 0.059 Uiso 1 1 calc R . .
H2 H 0.875(7) 0.841(3) 0.016(5) 0.018(19) Uiso 1 1 d . . .
H32 H 0.584(7) 0.461(3) 0.478(5) 0.023(19) Uiso 1 1 d . . .
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'
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
N2 Os1 N9 76.7(2) . . ?
N2 Os1 P21 96.45(17) . . ?
N9 Os1 P21 131.58(15) . . ?
N2 Os1 P11 132.04(16) . . ?
N9 Os1 P11 100.74(16) . . ?
P21 Os1 P11 117.22(6) . . ?
C3 N2 Os1 119.4(5) . . ?
N2 C3 C4 126.3(7) . . ?
N2 C3 C8 112.2(6) . . ?
C4 C3 C8 121.4(7) . . ?
C5 C4 C3 118.7(8) . . ?
C4 C5 C6 121.4(8) . . ?
C7 C6 C5 119.3(8) . . ?
C6 C7 C8 121.1(8) . . ?
N9 C8 C7 127.5(7) . . ?
N9 C8 C3 114.5(7) . . ?
C7 C8 C3 118.1(7) . . ?
C8 N9 C10 115.6(6) . . ?
C8 N9 Os1 117.2(5) . . ?
C10 N9 Os1 127.3(5) . . ?
C18 P11 C12 101.3(4) . . ?
C18 P11 C15 107.8(3) . . ?
C12 P11 C15 100.9(3) . . ?
C18 P11 Os1 116.6(2) . . ?
C12 P11 Os1 108.6(2) . . ?
C15 P11 Os1 119.0(2) . . ?
C13 C12 C14 110.9(6) . . ?
C13 C12 P11 112.2(5) . . ?
C14 C12 P11 111.0(5) . . ?
C16 C15 C17 108.7(5) . . ?
C16 C15 P11 115.5(5) . . ?
C17 C15 P11 116.3(5) . . ?
C20 C18 C19 109.8(6) . . ?
C20 C18 P11 113.0(6) . . ?
C19 C18 P11 117.5(5) . . ?
C25 P21 C28 101.3(3) . . ?
C25 P21 C22 101.1(3) . . ?
C28 P21 C22 104.2(3) . . ?
C25 P21 Os1 119.1(2) . . ?
C28 P21 Os1 118.4(2) . . ?
C22 P21 Os1 110.4(2) . . ?
C24 C22 C23 108.0(6) . . ?
C24 C22 P21 116.8(6) . . ?
C23 C22 P21 111.5(5) . . ?
C26 C25 C27 107.3(6) . . ?
C26 C25 P21 115.6(5) . . ?
C27 C25 P21 114.9(5) . . ?
C30 C28 C29 107.4(6) . . ?
C30 C28 P21 112.1(5) . . ?
C29 C28 P21 114.2(5) . . ?
N32 Os31 N39 76.5(2) . . ?
N32 Os31 P51 96.58(17) . . ?
N39 Os31 P51 130.26(16) . . ?
N32 Os31 P41 133.35(16) . . ?
N39 Os31 P41 100.87(16) . . ?
P51 Os31 P41 117.18(6) . . ?
C33 N32 Os31 120.1(5) . . ?
N32 C33 C34 127.5(7) . . ?
N32 C33 C38 111.9(6) . . ?
C34 C33 C38 120.6(8) . . ?
C35 C34 C33 119.5(9) . . ?
C36 C35 C34 120.9(8) . . ?
C35 C36 C37 120.9(9) . . ?
C36 C37 C38 120.0(9) . . ?
N39 C38 C33 115.0(7) . . ?
N39 C38 C37 126.9(8) . . ?
C33 C38 C37 118.1(8) . . ?
C38 N39 C40 115.6(7) . . ?
C38 N39 Os31 116.6(5) . . ?
C40 N39 Os31 127.7(5) . . ?
C48 P41 C42 106.7(3) . . ?
C48 P41 C45 102.3(4) . . ?
C42 P41 C45 100.1(3) . . ?
C48 P41 Os31 117.5(2) . . ?
C42 P41 Os31 118.8(2) . . ?
C45 P41 Os31 108.8(2) . . ?
C43 C42 C44 108.9(5) . . ?
C43 C42 P41 116.3(5) . . ?
C44 C42 P41 115.5(5) . . ?
C47 C45 C46 110.3(6) . . ?
C47 C45 P41 110.2(5) . . ?
C46 C45 P41 111.7(5) . . ?
C50 C48 C49 110.6(7) . . ?
C50 C48 P41 117.9(6) . . ?
C49 C48 P41 111.4(6) . . ?
C52 P51 C58 101.2(3) . . ?
C52 P51 C55 108.6(3) . . ?
C58 P51 C55 100.6(4) . . ?
C52 P51 Os31 122.1(2) . . ?
C58 P51 Os31 111.9(2) . . ?
C55 P51 Os31 110.0(2) . . ?
C53 C52 C54 110.0(6) . . ?
C53 C52 P51 114.1(6) . . ?
C54 C52 P51 116.4(5) . . ?
C56 C55 C57 111.5(7) . . ?
C56 C55 P51 112.6(5) . . ?
C57 C55 P51 117.0(5) . . ?
C59 C58 C60 110.4(7) . . ?
C59 C58 P51 111.4(6) . . ?
C60 C58 P51 112.0(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 N2 2.004(5) . ?
Os1 N9 2.041(6) . ?
Os1 P21 2.2843(16) . ?
Os1 P11 2.3035(15) . ?
N2 C3 1.385(9) . ?
C3 C4 1.394(10) . ?
C3 C8 1.415(10) . ?
C4 C5 1.379(10) . ?
C5 C6 1.407(12) . ?
C6 C7 1.381(11) . ?
C7 C8 1.403(9) . ?
C8 N9 1.376(9) . ?
N9 C10 1.460(9) . ?
P11 C18 1.864(7) . ?
P11 C12 1.867(6) . ?
P11 C15 1.873(6) . ?
C12 C13 1.520(11) . ?
C12 C14 1.532(9) . ?
C15 C16 1.510(9) . ?
C15 C17 1.523(8) . ?
C18 C20 1.508(10) . ?
C18 C19 1.548(10) . ?
P21 C25 1.854(6) . ?
P21 C28 1.860(7) . ?
P21 C22 1.871(7) . ?
C22 C24 1.513(9) . ?
C22 C23 1.522(11) . ?
C25 C26 1.501(10) . ?
C25 C27 1.558(9) . ?
C28 C30 1.530(10) . ?
C28 C29 1.539(10) . ?
Os31 N32 1.998(6) . ?
Os31 N39 2.045(6) . ?
Os31 P51 2.2892(16) . ?
Os31 P41 2.3079(16) . ?
N32 C33 1.370(10) . ?
C33 C34 1.391(10) . ?
C33 C38 1.412(11) . ?
C34 C35 1.390(11) . ?
C35 C36 1.366(13) . ?
C36 C37 1.382(12) . ?
C37 C38 1.421(10) . ?
C38 N39 1.371(10) . ?
N39 C40 1.455(9) . ?
P41 C48 1.863(8) . ?
P41 C42 1.866(6) . ?
P41 C45 1.871(6) . ?
C42 C43 1.533(8) . ?
C42 C44 1.554(9) . ?
C45 C47 1.537(9) . ?
C45 C46 1.546(11) . ?
C48 C50 1.523(11) . ?
C48 C49 1.534(12) . ?
P51 C52 1.858(7) . ?
P51 C58 1.866(7) . ?
P51 C55 1.869(7) . ?
C52 C53 1.527(10) . ?
C52 C54 1.550(9) . ?
C55 C56 1.526(11) . ?
C55 C57 1.536(10) . ?
C58 C59 1.523(11) . ?
C58 C60 1.553(11) . ?
