#------------------------------------------------------------------------------
#$Date: 2020-06-05 13:01:14 +0200 (vie 05 de jun de 2020) $
#$Revision: 252835 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/42/7704223.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_7704223
loop_
_publ_author_name
'Gianino, Jacqueline'
'Brown, Seth N.'
_publ_section_title
;
 Highly covalent metal-ligand π bonding in chelated bis- and
 tris(iminoxolene) complexes of osmium and ruthenium.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7015
_journal_page_last               7027
_journal_paper_doi               10.1039/d0dt01287d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C50 H58 N4 O2 Os'
_chemical_formula_sum            'C50 H58 N4 O2 Os'
_chemical_formula_weight         937.20
_chemical_name_common            (Clip)Os(py)2
_chemical_name_systematic
2,2'-Biphenylbis((2-oxy-3,5-di-tert-butylphenyl)amido)-bis(pyridine)osmium(IV)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2020-04-02 deposited with the CCDC.	2020-04-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.10(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.870(7)
_cell_length_b                   23.816(19)
_cell_length_c                   19.126(14)
_cell_measurement_reflns_used    9021
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.162
_cell_measurement_theta_min      2.492
_cell_volume                     4496(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_unetI/netI     0.0381
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            80737
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.308
_diffrn_reflns_theta_min         1.710
_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    2.879
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6282
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Blessing, R. H. (1995) Acta Cryst. A51, 33-38.

Sheldrick, G.M. (2008) SADABS v2008/1. Bruker AXS Inc.
Madison, WI USA.
;
_exptl_crystal_colour            teal
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1912
_exptl_crystal_recrystallization_method
'Crystals were grown by vapor diffusion of acetonitrileinto a solution of the compound in benzene.'
_exptl_crystal_size_max          0.309
_exptl_crystal_size_mid          0.104
_exptl_crystal_size_min          0.074
_exptl_transmission_factor_max   0.7457
_exptl_transmission_factor_min   0.6282
_refine_diff_density_max         8.846
_refine_diff_density_min         -2.047
_refine_diff_density_rms         0.207
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         11154
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.219
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0606
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0490P)²+54.7625P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1495
_refine_ls_wR_factor_ref         0.1544
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9598
_reflns_number_total             11154
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01287d2.cif
_cod_data_source_block           clipospy
_cod_depositor_comments
'Adding full bibliography for 7704222--7704225.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7704223
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.470
_shelx_estimated_absorpt_t_max   0.815
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os Os 0.75116(2) 0.99151(2) 0.25696(2) 0.01185(8) Uani 1 1 d . . . . .
O1 O 0.8205(5) 0.9348(2) 0.1850(3) 0.0216(10) Uani 1 1 d . . . . .
N1 N 0.8102(6) 0.9307(3) 0.3209(3) 0.0183(12) Uani 1 1 d . . . . .
O2 O 0.6847(5) 1.0476(2) 0.1830(3) 0.0207(10) Uani 1 1 d . . . . .
N2 N 0.6916(6) 1.0532(3) 0.3177(3) 0.0186(12) Uani 1 1 d . . . . .
N5 N 0.5544(6) 0.9578(3) 0.2537(3) 0.0218(12) Uani 1 1 d . . . . .
N6 N 0.9476(6) 1.0256(3) 0.2536(3) 0.0201(12) Uani 1 1 d . . . . .
C11 C 0.8949(7) 0.8938(3) 0.2136(4) 0.0198(14) Uani 1 1 d . . . . .
C12 C 0.8889(7) 0.8891(3) 0.2883(4) 0.0204(14) Uani 1 1 d . . . . .
C13 C 0.9546(7) 0.8441(3) 0.3219(4) 0.0235(15) Uani 1 1 d . . . . .
H13 H 0.9509 0.8411 0.3714 0.028 Uiso 1 1 calc R U . . .
C14 C 1.0246(7) 0.8043(3) 0.2837(4) 0.0235(15) Uani 1 1 d . . . . .
C15 C 1.0312(7) 0.8099(3) 0.2110(4) 0.0241(15) Uani 1 1 d . . . . .
H15 H 1.0790 0.7823 0.1850 0.029 Uiso 1 1 calc R U . . .
C16 C 0.9709(7) 0.8544(3) 0.1748(4) 0.0214(14) Uani 1 1 d . . . . .
C17 C 0.9853(8) 0.8620(4) 0.0944(4) 0.0289(17) Uani 1 1 d . . . . .
C18 C 1.0931(9) 0.7542(4) 0.3222(5) 0.0348(19) Uani 1 1 d . . . . .
C21 C 0.6091(7) 1.0885(3) 0.2104(4) 0.0201(14) Uani 1 1 d . . . . .
C22 C 0.6125(7) 1.0950(3) 0.2849(4) 0.0207(14) Uani 1 1 d . . . . .
C23 C 0.5442(8) 1.1391(3) 0.3168(4) 0.0261(16) Uani 1 1 d . . . . .
H23 H 0.5453 1.1421 0.3663 0.031 Uiso 1 1 calc R U . . .
C24 C 0.4738(8) 1.1792(3) 0.2773(4) 0.0259(16) Uani 1 1 d . . . . .
C25 C 0.4692(8) 1.1718(3) 0.2041(4) 0.0249(15) Uani 1 1 d . . . . .
H25 H 0.4200 1.1984 0.1770 0.030 Uiso 1 1 calc R U . . .
C26 C 0.5335(7) 1.1273(3) 0.1692(4) 0.0213(14) Uani 1 1 d . . . . .
C27 C 0.5227(8) 1.1183(4) 0.0892(4) 0.0270(16) Uani 1 1 d . . . . .
C28 C 0.4001(9) 1.2278(4) 0.3139(5) 0.036(2) Uani 1 1 d . . . . .
C31 C 0.7155(10) 0.9639(4) 0.4317(4) 0.035(2) Uani 1 1 d . . . . .
C32 C 0.7390(8) 0.9197(3) 0.3824(4) 0.0228(15) Uani 1 1 d . . . . .
C33 C 0.6779(10) 0.8669(4) 0.3933(5) 0.038(2) Uani 1 1 d . . . . .
H33 H 0.6978 0.8371 0.3619 0.046 Uiso 1 1 calc R U . . .
C34 C 0.5899(13) 0.8570(5) 0.4481(7) 0.064(4) Uani 1 1 d . . . . .
H34 H 0.5468 0.8215 0.4528 0.077 Uiso 1 1 calc R U . . .
C35 C 0.5649(17) 0.8993(6) 0.4963(7) 0.083(5) Uani 1 1 d . . . . .
H35 H 0.5055 0.8928 0.5345 0.100 Uiso 1 1 calc R U . . .
C36 C 0.6258(13) 0.9500(5) 0.4886(5) 0.057(3) Uani 1 1 d . . . . .
H36 H 0.6084 0.9781 0.5228 0.068 Uiso 1 1 calc R U . . .
C41 C 0.7712(10) 1.0208(4) 0.4328(4) 0.033(2) Uani 1 1 d . . . . .
C42 C 0.7566(8) 1.0645(3) 0.3826(4) 0.0217(14) Uani 1 1 d . . . . .
C43 C 0.8139(10) 1.1178(4) 0.3950(5) 0.040(2) Uani 1 1 d . . . . .
H43 H 0.8007 1.1470 0.3620 0.048 Uiso 1 1 calc R U . . .
C44 C 0.8911(14) 1.1283(5) 0.4562(6) 0.064(4) Uani 1 1 d . . . . .
H44 H 0.9314 1.1640 0.4637 0.077 Uiso 1 1 calc R U . . .
C45 C 0.9065(15) 1.0865(5) 0.5040(6) 0.069(4) Uani 1 1 d . . . . .
H45 H 0.9563 1.0936 0.5456 0.083 Uiso 1 1 calc R U . . .
C46 C 0.8517(13) 1.0344(5) 0.4934(5) 0.053(3) Uani 1 1 d . . . . .
H46 H 0.8675 1.0060 0.5274 0.064 Uiso 1 1 calc R U . . .
C52 C 0.4700(9) 0.9581(4) 0.3081(5) 0.038(2) Uani 1 1 d . . . . .
H52 H 0.4973 0.9763 0.3500 0.046 Uiso 1 1 calc R U . . .
C53 C 0.3427(9) 0.9325(5) 0.3055(6) 0.049(3) Uani 1 1 d . . . . .
H53 H 0.2857 0.9325 0.3455 0.059 Uiso 1 1 calc R U . . .
C54 C 0.3009(10) 0.9075(4) 0.2450(6) 0.048(3) Uani 1 1 d . . . . .
H54 H 0.2142 0.8903 0.2420 0.057 Uiso 1 1 calc R U . . .
C55 C 0.3872(10) 0.9076(5) 0.1883(6) 0.051(3) Uani 1 1 d . . . . .
H55 H 0.3602 0.8907 0.1455 0.061 Uiso 1 1 calc R U . . .
C56 C 0.5145(9) 0.9327(4) 0.1943(5) 0.037(2) Uani 1 1 d . . . . .
H56 H 0.5743 0.9320 0.1554 0.045 Uiso 1 1 calc R U . . .
C62 C 1.0332(9) 1.0257(4) 0.3098(5) 0.0356(19) Uani 1 1 d . . . . .
H62 H 1.0051 1.0085 0.3522 0.043 Uiso 1 1 calc R U . . .
C63 C 1.1621(10) 1.0507(5) 0.3063(6) 0.049(3) Uani 1 1 d . . . . .
H63 H 1.2179 1.0522 0.3468 0.059 Uiso 1 1 calc R U . . .
C64 C 1.2070(10) 1.0730(4) 0.2449(6) 0.046(2) Uani 1 1 d . . . . .
H64 H 1.2949 1.0890 0.2414 0.055 Uiso 1 1 calc R U . . .
C65 C 1.1207(9) 1.0715(4) 0.1876(6) 0.043(2) Uani 1 1 d . . . . .
H65 H 1.1487 1.0866 0.1439 0.051 Uiso 1 1 calc R U . . .
C66 C 0.9921(8) 1.0476(4) 0.1948(5) 0.0340(19) Uani 1 1 d . . . . .
H66 H 0.9338 1.0473 0.1552 0.041 Uiso 1 1 calc R U . . .
C171 C 1.0771(10) 0.8158(4) 0.0628(5) 0.039(2) Uani 1 1 d . . . . .
H17A H 1.0388 0.7788 0.0733 0.059 Uiso 1 1 calc R U . . .
H17B H 1.1681 0.8186 0.0830 0.059 Uiso 1 1 calc R U . . .
H17C H 1.0823 0.8208 0.0120 0.059 Uiso 1 1 calc R U . . .
C172 C 1.0482(10) 0.9197(4) 0.0772(5) 0.0355(19) Uani 1 1 d . . . . .
H17D H 0.9916 0.9496 0.0969 0.053 Uiso 1 1 calc R U . . .
H17E H 1.0537 0.9243 0.0263 0.053 Uiso 1 1 calc R U . . .
H17F H 1.1394 0.9220 0.0974 0.053 Uiso 1 1 calc R U . . .
C173 C 0.8438(9) 0.8576(5) 0.0582(4) 0.038(2) Uani 1 1 d . . . . .
H17G H 0.7837 0.8867 0.0769 0.057 Uiso 1 1 calc R U . . .
H17H H 0.8048 0.8205 0.0674 0.057 Uiso 1 1 calc R U . . .
H17I H 0.8542 0.8629 0.0077 0.057 Uiso 1 1 calc R U . . .
C181 C 1.1476(11) 0.7094(4) 0.2717(5) 0.044(2) Uani 1 1 d . . . . .
H18A H 1.1903 0.6791 0.2985 0.065 Uiso 1 1 calc R U . . .
H18B H 1.2147 0.7264 0.2405 0.065 Uiso 1 1 calc R U . . .
H18C H 1.0727 0.6941 0.2439 0.065 Uiso 1 1 calc R U . . .
C182 C 1.2131(13) 0.7770(5) 0.3662(7) 0.063(4) Uani 1 1 d . . . . .
H18D H 1.1801 0.8059 0.3984 0.095 Uiso 1 1 calc R U . . .
H18E H 1.2812 0.7933 0.3350 0.095 Uiso 1 1 calc R U . . .
H18F H 1.2537 0.7462 0.3929 0.095 Uiso 1 1 calc R U . . .
C183 C 0.9887(11) 0.7240(4) 0.3695(5) 0.046(2) Uani 1 1 d . . . . .
H18G H 0.9501 0.7510 0.4027 0.069 Uiso 1 1 calc R U . . .
H18H H 1.0338 0.6937 0.3953 0.069 Uiso 1 1 calc R U . . .
H18I H 0.9161 0.7082 0.3405 0.069 Uiso 1 1 calc R U . . .
C271 C 0.4555(9) 1.0621(4) 0.0730(5) 0.0361(19) Uani 1 1 d . . . . .
H27A H 0.5077 1.0317 0.0948 0.054 Uiso 1 1 calc R U . . .
H27B H 0.4525 1.0564 0.0223 0.054 Uiso 1 1 calc R U . . .
H27C H 0.3631 1.0619 0.0916 0.054 Uiso 1 1 calc R U . . .
C272 C 0.6653(9) 1.1199(5) 0.0553(4) 0.039(2) Uani 1 1 d . . . . .
H27D H 0.7086 1.1560 0.0655 0.058 Uiso 1 1 calc R U . . .
H27E H 0.6567 1.1152 0.0046 0.058 Uiso 1 1 calc R U . . .
H27F H 0.7208 1.0894 0.0744 0.058 Uiso 1 1 calc R U . . .
C273 C 0.4398(11) 1.1657(4) 0.0550(5) 0.043(2) Uani 1 1 d . . . . .
H27G H 0.4822 1.2019 0.0654 0.065 Uiso 1 1 calc R U . . .
H27H H 0.3473 1.1652 0.0736 0.065 Uiso 1 1 calc R U . . .
H27I H 0.4371 1.1600 0.0043 0.065 Uiso 1 1 calc R U . . .
C281 C 0.3578(11) 1.2748(4) 0.2628(5) 0.045(2) Uani 1 1 d . . . . .
H28A H 0.2980 1.2593 0.2267 0.068 Uiso 1 1 calc R U . . .
H28B H 0.4388 1.2907 0.2407 0.068 Uiso 1 1 calc R U . . .
H28C H 0.3100 1.3044 0.2885 0.068 Uiso 1 1 calc R U . . .
C282 C 0.4911(12) 1.2551(5) 0.3685(6) 0.052(3) Uani 1 1 d . . . . .
H28D H 0.5201 1.2268 0.4025 0.079 Uiso 1 1 calc R U . . .
H28E H 0.4410 1.2849 0.3926 0.079 Uiso 1 1 calc R U . . .
H28F H 0.5708 1.2712 0.3455 0.079 Uiso 1 1 calc R U . . .
C283 C 0.2677(12) 1.2043(5) 0.3477(6) 0.056(3) Uani 1 1 d . . . . .
H28G H 0.2109 1.1872 0.3114 0.084 Uiso 1 1 calc R U . . .
H28H H 0.2180 1.2350 0.3701 0.084 Uiso 1 1 calc R U . . .
H28I H 0.2913 1.1759 0.3828 0.084 Uiso 1 1 calc R U . . .
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'
O O 0.0106 0.0060 '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 Os N1 105.7(2) . . ?
N2 Os O1 172.8(2) . . ?
N1 Os O1 80.4(2) . . ?
N2 Os O2 79.9(2) . . ?
N1 Os O2 173.6(2) . . ?
O1 Os O2 94.2(2) . . ?
N2 Os N5 91.5(2) . . ?
N1 Os N5 90.6(2) . . ?
O1 Os N5 92.2(2) . . ?
O2 Os N5 86.2(2) . . ?
N2 Os N6 90.3(2) . . ?
N1 Os N6 91.8(2) . . ?
O1 Os N6 85.7(2) . . ?
O2 Os N6 91.2(2) . . ?
N5 Os N6 176.6(2) . . ?
C11 O1 Os 113.0(4) . . ?
C32 N1 C12 121.4(6) . . ?
C32 N1 Os 120.6(5) . . ?
C12 N1 Os 113.8(4) . . ?
C21 O2 Os 112.5(4) . . ?
C22 N2 C42 120.2(6) . . ?
C22 N2 Os 115.5(5) . . ?
C42 N2 Os 121.5(5) . . ?
C52 N5 C56 118.7(7) . . ?
C52 N5 Os 123.6(6) . . ?
C56 N5 Os 117.7(6) . . ?
C66 N6 C62 117.7(7) . . ?
C66 N6 Os 119.2(5) . . ?
C62 N6 Os 123.1(5) . . ?
O1 C11 C16 124.2(6) . . ?
O1 C11 C12 116.1(6) . . ?
C16 C11 C12 119.6(7) . . ?
N1 C12 C13 126.1(6) . . ?
N1 C12 C11 114.2(6) . . ?
C13 C12 C11 119.7(6) . . ?
C14 C13 C12 120.8(7) . . ?
C13 C14 C15 118.9(7) . . ?
C13 C14 C18 119.5(7) . . ?
C15 C14 C18 121.6(7) . . ?
C16 C15 C14 123.0(7) . . ?
C15 C16 C11 118.0(7) . . ?
C15 C16 C17 122.6(7) . . ?
C11 C16 C17 119.4(7) . . ?
C172 C17 C171 108.3(7) . . ?
C172 C17 C16 110.6(7) . . ?
C171 C17 C16 110.9(7) . . ?
C172 C17 C173 109.0(7) . . ?
C171 C17 C173 107.6(7) . . ?
C16 C17 C173 110.3(6) . . ?
C181 C18 C182 108.4(8) . . ?
C181 C18 C183 106.1(8) . . ?
C182 C18 C183 110.7(9) . . ?
C181 C18 C14 112.8(7) . . ?
C182 C18 C14 108.7(8) . . ?
C183 C18 C14 110.1(7) . . ?
O2 C21 C26 123.3(6) . . ?
O2 C21 C22 117.2(6) . . ?
C26 C21 C22 119.4(7) . . ?
C23 C22 N2 127.3(6) . . ?
C23 C22 C21 120.5(7) . . ?
N2 C22 C21 112.2(6) . . ?
C22 C23 C24 121.2(7) . . ?
C23 C24 C25 117.8(7) . . ?
C23 C24 C28 120.1(7) . . ?
C25 C24 C28 122.0(7) . . ?
C26 C25 C24 123.4(7) . . ?
C25 C26 C21 117.7(6) . . ?
C25 C26 C27 122.9(6) . . ?
C21 C26 C27 119.4(7) . . ?
C271 C27 C273 109.1(7) . . ?
C271 C27 C26 110.5(6) . . ?
C273 C27 C26 110.7(7) . . ?
C271 C27 C272 109.3(7) . . ?
C273 C27 C272 106.7(7) . . ?
C26 C27 C272 110.4(6) . . ?
C282 C28 C24 110.8(7) . . ?
C282 C28 C281 106.5(9) . . ?
C24 C28 C281 112.7(7) . . ?
C282 C28 C283 111.2(9) . . ?
C24 C28 C283 108.3(8) . . ?
C281 C28 C283 107.3(8) . . ?
C32 C31 C36 115.5(9) . . ?
C32 C31 C41 129.0(8) . . ?
C36 C31 C41 115.5(8) . . ?
N1 C32 C33 120.5(7) . . ?
N1 C32 C31 120.0(7) . . ?
C33 C32 C31 119.2(7) . . ?
C34 C33 C32 122.2(10) . . ?
C33 C34 C35 119.5(12) . . ?
C36 C35 C34 119.7(10) . . ?
C35 C36 C31 123.9(10) . . ?
C42 C41 C46 115.8(9) . . ?
C42 C41 C31 129.0(7) . . ?
C46 C41 C31 115.3(8) . . ?
C43 C42 N2 119.9(7) . . ?
C43 C42 C41 120.2(7) . . ?
N2 C42 C41 119.8(7) . . ?
C42 C43 C44 121.0(10) . . ?
C45 C44 C43 118.9(11) . . ?
C44 C45 C46 121.4(10) . . ?
C45 C46 C41 122.6(10) . . ?
N5 C52 C53 122.2(9) . . ?
C54 C53 C52 119.4(10) . . ?
C53 C54 C55 118.6(9) . . ?
C54 C55 C56 119.5(10) . . ?
N5 C56 C55 121.5(9) . . ?
N6 C62 C63 121.4(9) . . ?
C64 C63 C62 120.1(10) . . ?
C63 C64 C65 118.1(9) . . ?
C64 C65 C66 119.2(9) . . ?
N6 C66 C65 123.4(9) . . ?
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 N2 1.963(6) . ?
Os N1 1.982(6) . ?
Os O1 2.046(5) . ?
Os O2 2.053(5) . ?
Os N5 2.102(6) . ?
Os N6 2.104(6) . ?
O1 C11 1.339(9) . ?
N1 C32 1.396(9) . ?
N1 C12 1.404(9) . ?
O2 C21 1.335(9) . ?
N2 C22 1.412(9) . ?
N2 C42 1.422(9) . ?
N5 C52 1.334(11) . ?
N5 C56 1.342(10) . ?
N6 C66 1.317(10) . ?
N6 C62 1.366(10) . ?
C11 C16 1.413(10) . ?
C11 C12 1.433(10) . ?
C12 C13 1.406(10) . ?
C13 C14 1.384(10) . ?
C14 C15 1.398(11) . ?
C14 C18 1.555(11) . ?
C15 C16 1.398(11) . ?
C16 C17 1.556(10) . ?
C17 C172 1.544(12) . ?
C17 C171 1.549(12) . ?
C17 C173 1.561(11) . ?
C18 C181 1.538(12) . ?
C18 C182 1.549(14) . ?
C18 C183 1.551(14) . ?
C21 C26 1.424(10) . ?
C21 C22 1.433(10) . ?
C22 C23 1.390(10) . ?
C23 C24 1.401(10) . ?
C24 C25 1.411(11) . ?
C24 C28 1.538(11) . ?
C25 C26 1.404(11) . ?
C26 C27 1.550(10) . ?
C27 C271 1.526(12) . ?
C27 C273 1.538(12) . ?
C27 C272 1.552(11) . ?
C28 C282 1.522(14) . ?
C28 C281 1.543(13) . ?
C28 C283 1.563(14) . ?
C31 C32 1.432(11) . ?
C31 C36 1.443(13) . ?
C31 C41 1.464(13) . ?
C32 C33 1.411(12) . ?
C33 C34 1.383(13) . ?
C34 C35 1.389(19) . ?
C35 C36 1.357(19) . ?
C41 C42 1.422(11) . ?
C41 C46 1.441(13) . ?
C42 C43 1.411(13) . ?
C43 C44 1.417(13) . ?
C44 C45 1.361(18) . ?
C45 C46 1.368(18) . ?
C52 C53 1.398(13) . ?
C53 C54 1.364(16) . ?
C54 C55 1.380(16) . ?
C55 C56 1.396(12) . ?
C62 C63 1.406(12) . ?
C63 C64 1.364(15) . ?
C64 C65 1.387(15) . ?
C65 C66 1.398(12) . ?
