#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/58/4085839.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_4085839
loop_
_publ_author_name
'Eguillor, Beatriz'
'Esteruelas, Miguel A.'
'Fernández, Israel'
'Gómez-Gallego, Mar'
'Lledós, Agustí'
'Martín-Ortiz, Mamen'
'Oliván, Montserrat'
'Oñate, Enrique'
'Sierra, Miguel A.'
_publ_section_title
;
 Azole Assisted C--H Bond Activation Promoted by an Osmium-Polyhydride:
 Discerning between N and NH
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              1898
_journal_paper_doi               10.1021/acs.organomet.5b00174
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C49 H98 N2 Os2 P4, C5 H12'
_chemical_formula_sum            'C54 H110 N2 Os2 P4'
_chemical_formula_weight         1291.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 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                 100.563(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.461(4)
_cell_length_b                   17.256(4)
_cell_length_c                   11.892(3)
_cell_measurement_reflns_used    5270
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29
_cell_measurement_theta_min      2
_cell_volume                     3119.0(13)
_computing_cell_refinement       'SAINT+ v. 7.56a (Bruker AXS, 2008)'
_computing_data_collection       'apex2 v. 7.0 (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT+ v. 7.56a (Bruker AXS, 2008)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.14 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.14 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX DUO system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_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  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0407
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13195
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.50
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    4.205
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Absorption correction performed with SADABS program. This is based on the
method of Blessing: Blessing, R. H., Acta Crystallogr., Sect. A 1995, 51, 33.

SADABS: Area-Detector Absorption Correction. Bruker-AXS 
within SAINT+ package, v. 6.1 (2000).
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.549
_refine_diff_density_min         -0.617
_refine_diff_density_rms         0.128
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.348(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6324
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0424P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0696
_refine_ls_wR_factor_ref         0.0731
_reflns_number_gt                5608
_reflns_number_total             6324
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5b00174_si_001.cif
_cod_data_source_block           enriquen40cm
_cod_depositor_comments
'Adding full bibliography for 4085838--4085841.cif.'
_cod_original_cell_volume        3118.9(13)
_cod_original_sg_symbol_H-M      Cm
_cod_database_code               4085839
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z'
'x+1/2, -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 0.882327(17) 1.0000 0.765758(19) 0.01882(18) Uani 1 2 d SD . .
H01 H 0.7825(18) 1.0000 0.782(7) 0.023 Uiso 1 2 d SD . .
H02 H 0.812(5) 1.0000 0.650(4) 0.023 Uiso 1 2 d SD . .
H03 H 0.915(5) 1.0000 0.647(4) 0.023 Uiso 1 2 d SD . .
Os2 Os 1.117820(18) 1.0000 1.23440(2) 0.01872(18) Uani 1 2 d SD . .
H04 H 1.2214(10) 1.0000 1.276(7) 0.022 Uiso 1 2 d SD . .
H05 H 1.169(5) 1.0000 1.363(2) 0.022 Uiso 1 2 d SD . .
H06 H 1.055(4) 1.0000 1.327(5) 0.022 Uiso 1 2 d SD . .
P1 P 0.8751(3) 0.8647(2) 0.7365(3) 0.0188(10) Uani 1 1 d D . .
P2 P 1.1236(3) 1.1339(3) 1.2639(3) 0.0236(11) Uani 1 1 d D . .
N1 N 0.9016(5) 1.0000 0.9528(6) 0.0214(14) Uani 1 2 d S . .
N2 N 0.9939(5) 1.0000 1.1268(7) 0.0182(14) Uani 1 2 d S . .
C1 C 0.8153(5) 0.8399(7) 0.5901(6) 0.028(4) Uani 1 1 d D . .
H1 H 0.8205 0.7825 0.5814 0.033 Uiso 1 1 calc R . .
C2 C 0.8607(9) 0.8772(8) 0.4994(10) 0.031(4) Uani 1 1 d D . .
H2A H 0.8330 0.8587 0.4234 0.047 Uiso 1 1 calc R . .
H2B H 0.9231 0.8632 0.5141 0.047 Uiso 1 1 calc R . .
H2C H 0.8549 0.9337 0.5026 0.047 Uiso 1 1 calc R . .
C3 C 0.7167(5) 0.8583(7) 0.5711(12) 0.025(3) Uani 1 1 d D . .
H3A H 0.7083 0.9110 0.5979 0.038 Uiso 1 1 calc R . .
H3B H 0.6872 0.8213 0.6140 0.038 Uiso 1 1 calc R . .
H3C H 0.6917 0.8544 0.4895 0.038 Uiso 1 1 calc R . .
C4 C 0.9858(5) 0.8211(6) 0.7363(8) 0.023(3) Uani 1 1 d D . .
H4 H 1.0185 0.8611 0.7001 0.027 Uiso 1 1 calc R . .
C5 C 0.9909(10) 0.7473(7) 0.6658(13) 0.030(4) Uani 1 1 d D . .
H5A H 1.0526 0.7353 0.6641 0.045 Uiso 1 1 calc R . .
H5B H 0.9590 0.7554 0.5875 0.045 Uiso 1 1 calc R . .
H5C H 0.9643 0.7040 0.7006 0.045 Uiso 1 1 calc R . .
C6 C 1.0395(11) 0.8103(12) 0.8568(10) 0.043(5) Uani 1 1 d D . .
H6A H 1.0191 0.7639 0.8916 0.065 Uiso 1 1 calc R . .
H6B H 1.0319 0.8557 0.9035 0.065 Uiso 1 1 calc R . .
H6C H 1.1018 0.8044 0.8524 0.065 Uiso 1 1 calc R . .
C7 C 0.8248(10) 0.8040(6) 0.8378(11) 0.035(5) Uani 1 1 d D . .
H7 H 0.8663 0.8064 0.9128 0.042 Uiso 1 1 calc R . .
C8 C 0.8099(15) 0.7182(7) 0.8103(18) 0.053(5) Uani 1 1 d D . .
H8A H 0.7737 0.6957 0.8615 0.079 Uiso 1 1 calc R . .
H8B H 0.8667 0.6914 0.8211 0.079 Uiso 1 1 calc R . .
H8C H 0.7798 0.7124 0.7308 0.079 Uiso 1 1 calc R . .
C9 C 0.7384(8) 0.8395(10) 0.8582(15) 0.041(4) Uani 1 1 d D . .
H9A H 0.6895 0.8189 0.8019 0.062 Uiso 1 1 calc R . .
H9B H 0.7408 0.8959 0.8504 0.062 Uiso 1 1 calc R . .
H9C H 0.7295 0.8263 0.9354 0.062 Uiso 1 1 calc R . .
C10 C 1.0150(6) 1.1810(9) 1.2643(10) 0.040(4) Uani 1 1 d D . .
H10 H 0.9794 1.1423 1.2989 0.047 Uiso 1 1 calc R . .
C11 C 0.9667(11) 1.1928(12) 1.1412(9) 0.034(4) Uani 1 1 d DU . .
H11A H 0.9041 1.2019 1.1409 0.051 Uiso 1 1 calc R . .
H11B H 0.9735 1.1465 1.0960 0.051 Uiso 1 1 calc R . .
H11C H 0.9916 1.2377 1.1080 0.051 Uiso 1 1 calc R . .
C12 C 1.0102(12) 1.2566(9) 1.3305(16) 0.049(5) Uani 1 1 d D . .
H12A H 1.0260 1.3002 1.2855 0.073 Uiso 1 1 calc R . .
H12B H 1.0513 1.2540 1.4036 0.073 Uiso 1 1 calc R . .
H12C H 0.9502 1.2638 1.3446 0.073 Uiso 1 1 calc R . .
C13 C 1.1736(8) 1.1953(6) 1.1634(11) 0.029(4) Uani 1 1 d D . .
H13 H 1.1311 1.1924 1.0892 0.034 Uiso 1 1 calc R . .
C14 C 1.1808(13) 1.2815(8) 1.1921(16) 0.045(5) Uani 1 1 d D . .
H14A H 1.2264 1.2894 1.2601 0.068 Uiso 1 1 calc R . .
H14B H 1.1242 1.3003 1.2073 0.068 Uiso 1 1 calc R . .
H14C H 1.1964 1.3100 1.1274 0.068 Uiso 1 1 calc R . .
C15 C 1.2601(10) 1.1641(10) 1.1362(16) 0.051(5) Uani 1 1 d D . .
H15A H 1.2733 1.1904 1.0682 0.077 Uiso 1 1 calc R . .
H15B H 1.2547 1.1083 1.1218 0.077 Uiso 1 1 calc R . .
H15C H 1.3077 1.1738 1.2013 0.077 Uiso 1 1 calc R . .
C16 C 1.1849(6) 1.1634(8) 1.4076(5) 0.025(4) Uani 1 1 d D . .
H16 H 1.1819 1.2212 1.4130 0.030 Uiso 1 1 calc R . .
C17 C 1.1449(10) 1.1290(8) 1.5050(11) 0.034(4) Uani 1 1 d D . .
H17A H 1.1683 1.0767 1.5224 0.051 Uiso 1 1 calc R . .
H17B H 1.0808 1.1265 1.4818 0.051 Uiso 1 1 calc R . .
H17C H 1.1600 1.1618 1.5731 0.051 Uiso 1 1 calc R . .
C18 C 1.2821(7) 1.1400(11) 1.4310(15) 0.058(5) Uani 1 1 d D . .
H18A H 1.3091 1.1556 1.5088 0.087 Uiso 1 1 calc R . .
H18B H 1.3124 1.1656 1.3759 0.087 Uiso 1 1 calc R . .
H18C H 1.2868 1.0837 1.4235 0.087 Uiso 1 1 calc R . .
C19 C 0.9850(6) 1.0000 1.0090(10) 0.020(2) Uani 1 2 d SU . .
C20 C 0.8491(10) 1.0000 1.0278(16) 0.027(4) Uani 1 2 d S . .
C21 C 0.9108(6) 1.0000 1.1458(7) 0.0215(16) Uani 1 2 d S . .
C22 C 0.8817(11) 1.0000 1.2458(12) 0.027(3) Uani 1 2 d S . .
H22 H 0.9212 1.0000 1.3171 0.032 Uiso 1 2 calc SR . .
C23 C 0.7890(6) 1.0000 1.2397(9) 0.0291(19) Uani 1 2 d S . .
H23 H 0.7665 1.0000 1.3088 0.035 Uiso 1 2 calc SR . .
C24 C 0.7290(6) 1.0000 1.1342(7) 0.0303(19) Uani 1 2 d S . .
H24 H 0.6673 1.0000 1.1324 0.036 Uiso 1 2 calc SR . .
C25 C 0.7623(6) 1.0000 1.0344(8) 0.021(2) Uani 1 2 d S . .
H25 H 0.7212 1.0000 0.9644 0.026 Uiso 1 2 calc SR . .
C26 C 1.0535(6) 1.0000 0.9416(7) 0.0215(17) Uani 1 2 d SD . .
C27 C 1.0273(8) 1.0000 0.8235(7) 0.028(2) Uani 1 2 d SD . .
C28 C 1.0926(8) 1.0000 0.7598(15) 0.045(6) Uani 1 2 d SD . .
H28 H 1.0775 1.0000 0.6787 0.055 Uiso 1 2 calc SR . .
C29 C 1.1787(8) 1.0000 0.8113(8) 0.043(3) Uani 1 2 d SD . .
H29 H 1.2217 1.0000 0.7636 0.052 Uiso 1 2 calc SR . .
C30 C 1.2075(7) 1.0000 0.9262(8) 0.039(3) Uani 1 2 d SD . .
H30 H 1.2679 1.0000 0.9613 0.047 Uiso 1 2 calc SR . .
C31 C 1.1410(7) 1.0000 0.9843(16) 0.045(7) Uani 1 2 d SD . .
H31 H 1.152(9) 1.0000 1.0697(18) 0.054 Uiso 1 2 d SD . .
C32 C 0.476(2) 1.0638(15) 0.093(2) 0.053(3) Uiso 0.25 1 d PD A -1
H32A H 0.4386 1.0661 0.0172 0.079 Uiso 0.25 1 calc PR A -1
H32B H 0.5369 1.0762 0.0867 0.079 Uiso 0.25 1 calc PR A -1
H32C H 0.4552 1.1013 0.1439 0.079 Uiso 0.25 1 calc PR A -1
C33 C 0.4725(18) 0.9819(12) 0.1424(16) 0.053(3) Uiso 0.25 1 d PD A -1
H33A H 0.4107 0.9682 0.1445 0.063 Uiso 0.25 1 calc PR A -1
H33B H 0.4952 0.9442 0.0921 0.063 Uiso 0.25 1 calc PR A -1
C34 C 0.5265(15) 0.9771(14) 0.2614(15) 0.053(3) Uiso 0.25 1 d PD A -1
H34A H 0.5330 0.9218 0.2838 0.063 Uiso 0.25 1 d PR A -1
H34B H 0.5860 0.9901 0.2610 0.063 Uiso 0.25 1 d PR A -1
C35 C 0.4857(19) 1.0198(13) 0.3491(16) 0.053(3) Uiso 0.25 1 d PD A -1
H35A H 0.4212 1.0229 0.3228 0.063 Uiso 0.25 1 calc PR A -1
H35B H 0.5091 1.0733 0.3575 0.063 Uiso 0.25 1 calc PR A -1
C36 C 0.506(2) 0.9785(15) 0.4650(16) 0.053(3) Uiso 0.25 1 d PD A -1
H36A H 0.4764 1.0060 0.5198 0.079 Uiso 0.25 1 calc PR A -1
H36B H 0.5692 0.9781 0.4930 0.079 Uiso 0.25 1 calc PR A -1
H36C H 0.4837 0.9252 0.4562 0.079 Uiso 0.25 1 calc PR A -1
C37 C 0.493(2) 1.0221(16) 0.5964(15) 0.053(3) Uiso 0.25 1 d PD B -2
H37A H 0.4995 0.9872 0.5336 0.079 Uiso 0.25 1 calc PR B -2
H37B H 0.5321 1.0666 0.5972 0.079 Uiso 0.25 1 calc PR B -2
H37C H 0.4316 1.0404 0.5855 0.079 Uiso 0.25 1 calc PR B -2
C38 C 0.515(2) 0.9789(13) 0.7095(15) 0.053(3) Uiso 0.25 1 d PD B -2
H38A H 0.4776 0.9322 0.7067 0.063 Uiso 0.25 1 calc PR B -2
H38B H 0.5772 0.9616 0.7213 0.063 Uiso 0.25 1 calc PR B -2
C39 C 0.502(2) 1.0295(11) 0.8093(15) 0.053(3) Uiso 0.25 1 d PD B -2
H39A H 0.4450 1.0574 0.7898 0.063 Uiso 0.25 1 calc PR B -2
H39B H 0.5495 1.0683 0.8257 0.063 Uiso 0.25 1 calc PR B -2
C40 C 0.502(2) 0.9785(12) 0.9152(15) 0.053(3) Uiso 0.25 1 d PD B -2
H40A H 0.4535 0.9401 0.8989 0.063 Uiso 0.25 1 calc PR B -2
H40B H 0.5581 0.9499 0.9337 0.063 Uiso 0.25 1 calc PR B -2
C41 C 0.490(3) 1.0285(14) 1.0171(17) 0.053(3) Uiso 0.25 1 d PD B -2
H41A H 0.4853 0.9951 1.0825 0.079 Uiso 0.25 1 calc PR B -2
H41B H 0.4357 1.0592 0.9969 0.079 Uiso 0.25 1 calc PR B -2
H41C H 0.5402 1.0633 1.0374 0.079 Uiso 0.25 1 calc PR B -2
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
N1 Os1 C27 75.2(3) . .
N1 Os1 P1 98.25(9) . .
C27 Os1 P1 93.63(10) . .
N1 Os1 P1 98.25(9) . 2_575
C27 Os1 P1 93.62(10) . 2_575
P1 Os1 P1 163.19(17) . 2_575
N1 Os1 H01 80(3) . .
C27 Os1 H01 156(3) . .
P1 Os1 H01 89.8(5) . .
P1 Os1 H01 89.8(5) 2_575 .
N1 Os1 H02 146(3) . .
C27 Os1 H02 139(3) . .
P1 Os1 H02 82.3(2) . .
P1 Os1 H02 82.3(2) 2_575 .
H01 Os1 H02 65(5) . .
N1 Os1 H03 154(3) . .
C27 Os1 H03 79(3) . .
P1 Os1 H03 83.3(3) . .
P1 Os1 H03 83.3(3) 2_575 .
H01 Os1 H03 126(5) . .
H02 Os1 H03 61(5) . .
N2 Os2 P2 95.57(11) . 2_575
N2 Os2 P2 95.57(11) . .
P2 Os2 P2 162.99(18) 2_575 .
N2 Os2 H04 161(3) . .
P2 Os2 H04 86.8(4) 2_575 .
P2 Os2 H04 86.8(4) . .
N2 Os2 H05 146(3) . .
P2 Os2 H05 81.77(15) 2_575 .
P2 Os2 H05 81.77(16) . .
H04 Os2 H05 53(3) . .
N2 Os2 H06 80(3) . .
P2 Os2 H06 84.7(4) 2_575 .
P2 Os2 H06 84.7(4) . .
H04 Os2 H06 119(4) . .
H05 Os2 H06 66(4) . .
N2 Os2 H31 78(3) . .
P2 Os2 H31 97.4(3) 2_575 .
P2 Os2 H31 97.4(3) . .
H04 Os2 H31 83(4) . .
H05 Os2 H31 136(5) . .
H06 Os2 H31 158(5) . .
C1 P1 C7 106.2(7) . .
C1 P1 C4 101.8(4) . .
C7 P1 C4 105.3(6) . .
C1 P1 Os1 111.5(4) . .
C7 P1 Os1 118.2(4) . .
C4 P1 Os1 112.3(4) . .
C10 P2 C13 103.4(7) . .
C10 P2 C16 100.6(5) . .
C13 P2 C16 103.3(7) . .
C10 P2 Os2 114.9(5) . .
C13 P2 Os2 118.3(4) . .
C16 P2 Os2 114.0(5) . .
C20 N1 C19 108.6(10) . .
C20 N1 Os1 134.8(9) . .
C19 N1 Os1 116.5(7) . .
C21 N2 C19 104.4(7) . .
C21 N2 Os2 133.7(7) . .
C19 N2 Os2 121.9(6) . .
C3 C1 C2 112.4(9) . .
C3 C1 P1 113.5(7) . .
C2 C1 P1 110.3(7) . .
C3 C1 H1 106.7 . .
C2 C1 H1 106.7 . .
P1 C1 H1 106.7 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C6 C4 C5 109.8(12) . .
C6 C4 P1 112.8(8) . .
C5 C4 P1 118.2(8) . .
C6 C4 H4 104.9 . .
C5 C4 H4 104.9 . .
P1 C4 H4 104.9 . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C4 C6 H6A 109.5 . .
C4 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C4 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C8 C7 C9 108.7(13) . .
C8 C7 P1 118.1(10) . .
C9 C7 P1 110.9(9) . .
C8 C7 H7 106.1 . .
C9 C7 H7 106.1 . .
P1 C7 H7 106.1 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C11 C10 C12 108.5(13) . .
C11 C10 P2 109.7(9) . .
C12 C10 P2 120.0(10) . .
C11 C10 H10 105.9 . .
C12 C10 H10 105.9 . .
P2 C10 H10 105.9 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 C15 111.0(12) . .
C14 C13 P2 115.6(9) . .
C15 C13 P2 114.6(9) . .
C14 C13 H13 104.8 . .
C15 C13 H13 104.8 . .
P2 C13 H13 104.8 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 C18 106.2(12) . .
C17 C16 P2 112.3(8) . .
C18 C16 P2 114.2(8) . .
C17 C16 H16 108.0 . .
C18 C16 H16 108.0 . .
P2 C16 H16 108.0 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N1 C19 N2 114.5(8) . .
N1 C19 C26 117.4(10) . .
N2 C19 C26 128.1(9) . .
N1 C20 C25 141.3(15) . .
N1 C20 C21 105.2(11) . .
C25 C20 C21 113.5(13) . .
C22 C21 N2 129.3(10) . .
C22 C21 C20 123.5(11) . .
N2 C21 C20 107.2(9) . .
C21 C22 C23 116.8(12) . .
C21 C22 H22 121.6 . .
C23 C22 H22 121.6 . .
C24 C23 C22 122.4(11) . .
C24 C23 H23 118.8 . .
C22 C23 H23 118.8 . .
C25 C24 C23 118.3(9) . .
C25 C24 H24 120.8 . .
C23 C24 H24 120.8 . .
C20 C25 C24 125.4(11) . .
C20 C25 H25 117.3 . .
C24 C25 H25 117.3 . .
C31 C26 C27 117.7(11) . .
C31 C26 C19 125.2(10) . .
C27 C26 C19 117.1(9) . .
C28 C27 C26 116.9(12) . .
C28 C27 Os1 129.3(9) . .
C26 C27 Os1 113.8(7) . .
C29 C28 C27 120.8(15) . .
C29 C28 H28 119.6 . .
C27 C28 H28 119.6 . .
C30 C29 C28 124.5(12) . .
C30 C29 H29 117.7 . .
C28 C29 H29 117.7 . .
C31 C30 C29 112.2(12) . .
C31 C30 H30 123.9 . .
C29 C30 H30 123.9 . .
C30 C31 C26 127.9(15) . .
C30 C31 H31 121(8) . .
C26 C31 H31 111(8) . .
C33 C32 H32A 109.5 . .
C33 C32 H32B 109.4 . .
H32A C32 H32B 109.5 . .
C33 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 C32 110.9(10) . .
C34 C33 H33A 109.5 . .
C32 C33 H33A 109.4 . .
C34 C33 H33B 109.5 . .
C32 C33 H33B 109.5 . .
H33A C33 H33B 108.0 . .
C35 C34 C33 113.1(10) . .
C35 C34 H34A 108.7 . .
C33 C34 H34A 108.5 . .
C35 C34 H34B 114.7 . .
C33 C34 H34B 110.6 . .
H34A C34 H34B 100.3 . .
C34 C35 C36 110.8(10) . .
C34 C35 H35A 109.5 . .
C36 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
C36 C35 H35B 109.5 . .
H35A C35 H35B 108.1 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 H37A 109.5 . .
C38 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C38 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C39 C38 C37 111.5(10) . .
C39 C38 H38A 109.3 . .
C37 C38 H38A 109.3 . .
C39 C38 H38B 109.3 . .
C37 C38 H38B 109.3 . .
H38A C38 H38B 108.0 . .
C38 C39 C40 109.4(9) . .
C38 C39 H39A 109.8 . .
C40 C39 H39A 109.8 . .
C38 C39 H39B 109.8 . .
C40 C39 H39B 109.8 . .
H39A C39 H39B 108.2 . .
C41 C40 C39 110.2(9) . .
C41 C40 H40A 109.6 . .
C39 C40 H40A 109.6 . .
C41 C40 H40B 109.6 . .
C39 C40 H40B 109.6 . .
H40A C40 H40B 108.1 . .
C40 C41 H41A 109.5 . .
C40 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C40 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Os1 N1 2.189(7) .
Os1 C27 2.220(11) .
Os1 P1 2.360(4) .
Os1 P1 2.360(4) 2_575
Os1 H01 1.588(10) .
Os1 H02 1.586(10) .
Os1 H03 1.589(10) .
Os2 N2 2.099(7) .
Os2 P2 2.336(5) 2_575
Os2 P2 2.336(5) .
Os2 H04 1.588(10) .
Os2 H05 1.586(10) .
Os2 H06 1.587(10) .
Os2 H31 2.12(6) .
P1 C1 1.866(5) .
P1 C7 1.869(4) .
P1 C4 1.870(4) .
P2 C10 1.867(5) .
P2 C13 1.867(5) .
P2 C16 1.868(4) .
N1 C20 1.311(17) .
N1 C19 1.339(12) .
N2 C21 1.346(11) .
N2 C19 1.382(14) .
C1 C3 1.532(5) .
C1 C2 1.532(5) .
C1 H1 1.0000 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 C6 1.529(5) .
C4 C5 1.534(5) .
C4 H4 1.0000 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C8 1.524(5) .
C7 C9 1.529(5) .
C7 H7 1.0000 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.529(5) .
C10 C12 1.532(5) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.525(5) .
C13 C15 1.530(5) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.529(5) .
C16 C18 1.531(5) .
C16 H16 1.0000 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C26 1.441(12) .
C20 C25 1.358(18) .
C20 C21 1.546(19) .
C21 C22 1.345(17) .
C22 C23 1.422(18) .
C22 H22 0.9500 .
C23 C24 1.417(12) .
C23 H23 0.9500 .
C24 C25 1.379(12) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 C31 1.356(9) .
C26 C27 1.388(8) .
C27 C28 1.369(9) .
C28 C29 1.360(9) .
C28 H28 0.9500 .
C29 C30 1.357(9) .
C29 H29 0.9500 .
C30 C31 1.340(10) .
C30 H30 0.9500 .
C31 H31 0.999(10) .
C32 C33 1.534(10) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.509(10) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.507(10) .
C34 H34A 0.9901 .
C34 H34B 0.9480 .
C35 C36 1.531(10) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 C38 1.522(10) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 C39 1.518(10) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.536(10) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C41 1.527(10) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
