#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:56:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179162 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/23/4312384.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_4312384
loop_
_publ_author_name
'Sarana Ka-Yan Leung'
'Jie-Sheng Huang'
'Nianyong Zhu'
'Chi-Ming Che'
_publ_section_title
;
 Reactivity of Dioxoosmium(VI) Porphyrins toward Arylhydrazine. Isolation
 of Hydrazidoosmium and Amidoosmium Porphyrins
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7266
_journal_page_last               7272
_journal_paper_doi               10.1021/ic034389d
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C60 H47 N5 O Os'
_chemical_formula_sum            'C60 H47 N5 O Os'
_chemical_formula_weight         1044.23
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 111.20(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.836(3)
_cell_length_b                   23.880(5)
_cell_length_c                   14.720(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     5190(2)
_computing_cell_refinement       Scalepack
_computing_data_collection       MarControl
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    Shelxs-97
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Marresearch Imaging Plate mar300'
_diffrn_measurement_method       Oscillation
_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  0.0556
_diffrn_reflns_av_sigmaI/netI    0.0831
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25447
_diffrn_reflns_theta_full        25.52
_diffrn_reflns_theta_max         25.52
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    2.501
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2104
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.320
_refine_diff_density_min         -1.356
_refine_diff_density_rms         0.245
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         8980
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.0795
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0859P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1504
_reflns_number_gt                5692
_reflns_number_total             8980
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034389dsi20030414_042915.cif
_cod_data_source_block           complex_2b
_cod_original_cell_volume        5190.0(18)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4312384
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.66621(2) 0.152567(11) 0.41948(2) 0.05417(13) Uani 1 1 d . . .
O1 O 0.6909(4) 0.2314(2) 0.4545(4) 0.0672(14) Uani 1 1 d . . .
N1 N 0.5392(4) 0.1652(2) 0.4253(4) 0.0551(15) Uani 1 1 d . . .
N2 N 0.7175(4) 0.1315(2) 0.5669(4) 0.0593(15) Uani 1 1 d . . .
N3 N 0.7955(4) 0.1436(2) 0.4162(4) 0.0577(15) Uani 1 1 d . . .
N4 N 0.6170(4) 0.1770(2) 0.2754(4) 0.0538(15) Uani 1 1 d . . .
C1 C 0.4627(5) 0.1826(3) 0.3485(5) 0.0594(19) Uani 1 1 d . . .
C2 C 0.3903(5) 0.1868(3) 0.3849(6) 0.066(2) Uani 1 1 d . . .
H2 H 0.3310 0.1972 0.3490 0.079 Uiso 1 1 calc R . .
C3 C 0.4235(6) 0.1730(3) 0.4812(6) 0.066(2) Uani 1 1 d . . .
H3 H 0.3911 0.1728 0.5228 0.079 Uiso 1 1 calc R . .
C4 C 0.5158(6) 0.1590(3) 0.5065(6) 0.0585(19) Uani 1 1 d . . .
C5 C 0.5769(6) 0.1421(3) 0.5989(6) 0.061(2) Uani 1 1 d . . .
C6 C 0.6668(5) 0.1284(3) 0.6249(5) 0.0581(18) Uani 1 1 d . . .
C7 C 0.7255(7) 0.1075(3) 0.7154(6) 0.077(2) Uani 1 1 d . . .
H7 H 0.7092 0.1008 0.7691 0.092 Uiso 1 1 calc R . .
C8 C 0.8078(6) 0.0987(3) 0.7127(6) 0.075(2) Uani 1 1 d . . .
H8 H 0.8583 0.0852 0.7631 0.090 Uiso 1 1 calc R . .
C9 C 0.8032(6) 0.1140(3) 0.6184(5) 0.062(2) Uani 1 1 d . . .
C10 C 0.8759(6) 0.1110(3) 0.5861(6) 0.063(2) Uani 1 1 d . . .
C11 C 0.8709(6) 0.1250(3) 0.4911(6) 0.063(2) Uani 1 1 d . . .
C12 C 0.9441(5) 0.1214(4) 0.4564(6) 0.071(2) Uani 1 1 d . . .
H12 H 1.0029 0.1099 0.4920 0.086 Uiso 1 1 calc R . .
C13 C 0.9114(6) 0.1380(3) 0.3611(7) 0.075(2) Uani 1 1 d . . .
H13 H 0.9439 0.1397 0.3196 0.090 Uiso 1 1 calc R . .
C14 C 0.8185(6) 0.1521(3) 0.3370(6) 0.062(2) Uani 1 1 d . . .
C15 C 0.7600(6) 0.1707(3) 0.2454(6) 0.062(2) Uani 1 1 d . . .
C16 C 0.6691(5) 0.1835(3) 0.2181(5) 0.0567(18) Uani 1 1 d . . .
C17 C 0.6115(6) 0.2048(3) 0.1265(5) 0.065(2) Uani 1 1 d . . .
H17 H 0.6292 0.2136 0.0744 0.079 Uiso 1 1 calc R . .
C18 C 0.5272(6) 0.2103(3) 0.1273(5) 0.063(2) Uani 1 1 d . . .
H18 H 0.4764 0.2227 0.0762 0.075 Uiso 1 1 calc R . .
C19 C 0.5305(5) 0.1933(3) 0.2217(5) 0.0527(17) Uani 1 1 d . . .
C20 C 0.4580(5) 0.1943(3) 0.2527(5) 0.0572(18) Uani 1 1 d . . .
C21 C 0.5376(6) 0.1378(3) 0.6781(6) 0.062(2) Uani 1 1 d . . .
C22 C 0.4672(6) 0.1011(3) 0.6707(6) 0.067(2) Uani 1 1 d . . .
H22 H 0.4420 0.0792 0.6152 0.080 Uiso 1 1 calc R . .
C23 C 0.4348(6) 0.0971(3) 0.7455(6) 0.076(2) Uani 1 1 d . . .
H23 H 0.3870 0.0728 0.7387 0.092 Uiso 1 1 calc R . .
C24 C 0.4706(7) 0.1281(4) 0.8307(6) 0.077(2) Uani 1 1 d . . .
C25 C 0.5408(6) 0.1638(3) 0.8368(6) 0.074(2) Uani 1 1 d . . .
H25 H 0.5671 0.1848 0.8932 0.088 Uiso 1 1 calc R . .
C26 C 0.5736(6) 0.1694(3) 0.7627(6) 0.065(2) Uani 1 1 d . . .
H26 H 0.6202 0.1946 0.7691 0.078 Uiso 1 1 calc R . .
C27 C 0.4307(8) 0.1249(5) 0.9082(7) 0.125(4) Uani 1 1 d . . .
H27A H 0.3820 0.0983 0.8894 0.188 Uiso 1 1 calc R . .
H27B H 0.4081 0.1610 0.9166 0.188 Uiso 1 1 calc R . .
H27C H 0.4764 0.1133 0.9683 0.188 Uiso 1 1 calc R . .
C28 C 0.9651(6) 0.0904(3) 0.6566(6) 0.068(2) Uani 1 1 d . . .
C29 C 0.9825(6) 0.0353(4) 0.6685(8) 0.096(3) Uani 1 1 d . . .
H29 H 0.9398 0.0098 0.6307 0.116 Uiso 1 1 calc R . .
C30 C 1.0621(8) 0.0162(4) 0.7355(8) 0.108(3) Uani 1 1 d . . .
H30 H 1.0714 -0.0222 0.7429 0.129 Uiso 1 1 calc R . .
C31 C 1.1289(7) 0.0515(5) 0.7923(7) 0.098(3) Uani 1 1 d . . .
C32 C 1.1108(9) 0.1072(5) 0.7769(9) 0.147(5) Uani 1 1 d . . .
H32 H 1.1546 0.1330 0.8116 0.176 Uiso 1 1 calc R . .
C33 C 1.0298(8) 0.1265(5) 0.7116(8) 0.130(5) Uani 1 1 d . . .
H33 H 1.0190 0.1648 0.7049 0.156 Uiso 1 1 calc R . .
C34 C 1.2170(7) 0.0296(5) 0.8706(8) 0.127(4) Uani 1 1 d . . .
H34A H 1.2539 0.0607 0.9033 0.190 Uiso 1 1 calc R . .
H34B H 1.2495 0.0071 0.8401 0.190 Uiso 1 1 calc R . .
H34C H 1.2022 0.0073 0.9171 0.190 Uiso 1 1 calc R . .
C35 C 0.8003(6) 0.1767(3) 0.1670(6) 0.063(2) Uani 1 1 d . . .
C36 C 0.8603(6) 0.2188(4) 0.1693(7) 0.082(3) Uani 1 1 d . . .
H36 H 0.8791 0.2434 0.2217 0.098 Uiso 1 1 calc R . .
C37 C 0.8935(7) 0.2250(4) 0.0937(7) 0.092(3) Uani 1 1 d . . .
H37 H 0.9341 0.2537 0.0967 0.110 Uiso 1 1 calc R . .
C38 C 0.8675(7) 0.1898(4) 0.0158(7) 0.087(3) Uani 1 1 d . . .
C39 C 0.8096(8) 0.1471(4) 0.0156(8) 0.090(3) Uani 1 1 d . . .
H39 H 0.7927 0.1215 -0.0355 0.108 Uiso 1 1 calc R . .
C40 C 0.7765(7) 0.1411(3) 0.0880(6) 0.079(3) Uani 1 1 d . . .
H40 H 0.7363 0.1121 0.0842 0.095 Uiso 1 1 calc R . .
C41 C 0.8975(10) 0.1998(5) -0.0700(9) 0.147(5) Uani 1 1 d . . .
H41A H 0.9369 0.2317 -0.0568 0.221 Uiso 1 1 calc R . .
H41B H 0.8453 0.2066 -0.1276 0.221 Uiso 1 1 calc R . .
H41C H 0.9292 0.1674 -0.0797 0.221 Uiso 1 1 calc R . .
C42 C 0.3686(6) 0.2111(3) 0.1793(6) 0.064(2) Uani 1 1 d . . .
C43 C 0.3240(7) 0.1771(4) 0.1032(7) 0.098(3) Uani 1 1 d . . .
H43 H 0.3470 0.1416 0.1001 0.117 Uiso 1 1 calc R . .
C44 C 0.2464(8) 0.1937(6) 0.0315(9) 0.133(5) Uani 1 1 d . . .
H44 H 0.2177 0.1690 -0.0192 0.160 Uiso 1 1 calc R . .
C45 C 0.2085(8) 0.2460(6) 0.0310(9) 0.115(4) Uani 1 1 d . . .
C46 C 0.2530(7) 0.2791(4) 0.1069(10) 0.110(4) Uani 1 1 d . . .
H46 H 0.2299 0.3145 0.1098 0.132 Uiso 1 1 calc R . .
C47 C 0.3305(7) 0.2630(4) 0.1798(7) 0.091(3) Uani 1 1 d . . .
H47 H 0.3583 0.2876 0.2310 0.109 Uiso 1 1 calc R . .
C48 C 0.1237(9) 0.2664(6) -0.0527(11) 0.209(8) Uani 1 1 d . . .
H48A H 0.1026 0.2374 -0.1008 0.313 Uiso 1 1 calc R . .
H48B H 0.1384 0.2991 -0.0819 0.313 Uiso 1 1 calc R . .
H48C H 0.0772 0.2754 -0.0277 0.313 Uiso 1 1 calc R . .
N5 N 0.6356(4) 0.0748(2) 0.3834(4) 0.0571(15) Uani 1 1 d . . .
C49 C 0.6920(6) 0.0274(3) 0.4316(5) 0.064(2) Uani 1 1 d . . .
C50 C 0.6786(6) 0.0020(3) 0.5089(6) 0.078(2) Uani 1 1 d . . .
H50 H 0.6349 0.0156 0.5318 0.094 Uiso 1 1 calc R . .
C51 C 0.7306(8) -0.0440(4) 0.5527(7) 0.096(3) Uani 1 1 d . . .
H51 H 0.7232 -0.0607 0.6064 0.115 Uiso 1 1 calc R . .
C52 C 0.7924(9) -0.0647(4) 0.5170(9) 0.107(4) Uani 1 1 d . . .
H52 H 0.8253 -0.0966 0.5450 0.128 Uiso 1 1 calc R . .
C53 C 0.8069(7) -0.0397(4) 0.4416(8) 0.096(3) Uani 1 1 d . . .
H53 H 0.8502 -0.0538 0.4188 0.115 Uiso 1 1 calc R . .
C54 C 0.7570(7) 0.0068(4) 0.3988(7) 0.087(3) Uani 1 1 d . . .
H54 H 0.7673 0.0244 0.3473 0.105 Uiso 1 1 calc R . .
C55 C 0.5522(7) 0.0569(3) 0.3073(6) 0.071(2) Uani 1 1 d . . .
C56 C 0.4784(7) 0.0439(4) 0.3295(8) 0.085(3) Uani 1 1 d . . .
H56 H 0.4804 0.0480 0.3930 0.102 Uiso 1 1 calc R . .
C57 C 0.4005(9) 0.0245(5) 0.2580(10) 0.115(4) Uani 1 1 d . . .
H57 H 0.3509 0.0157 0.2748 0.138 Uiso 1 1 calc R . .
C58 C 0.3942(10) 0.0184(5) 0.1699(13) 0.123(4) Uani 1 1 d . . .
H58 H 0.3406 0.0050 0.1240 0.147 Uiso 1 1 calc R . .
C59 C 0.4655(11) 0.0313(4) 0.1424(7) 0.124(5) Uani 1 1 d . . .
H59 H 0.4593 0.0269 0.0775 0.149 Uiso 1 1 calc R . .
C60 C 0.5521(8) 0.0519(3) 0.2130(6) 0.091(3) Uani 1 1 d . . .
H60 H 0.6018 0.0608 0.1963 0.110 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
Os Os -1.2165 7.6030 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N5 Os1 O1 177.3(2) . . ?
N5 Os1 N4 91.4(2) . . ?
O1 Os1 N4 87.9(2) . . ?
N5 Os1 N1 90.0(2) . . ?
O1 Os1 N1 87.3(2) . . ?
N4 Os1 N1 89.4(2) . . ?
N5 Os1 N3 92.7(2) . . ?
O1 Os1 N3 90.0(2) . . ?
N4 Os1 N3 90.8(2) . . ?
N1 Os1 N3 177.3(2) . . ?
N5 Os1 N2 91.1(2) . . ?
O1 Os1 N2 89.5(2) . . ?
N4 Os1 N2 177.5(2) . . ?
N1 Os1 N2 90.6(2) . . ?
N3 Os1 N2 89.0(2) . . ?
C4 N1 C1 108.0(6) . . ?
C4 N1 Os1 126.1(5) . . ?
C1 N1 Os1 125.9(5) . . ?
C9 N2 C6 109.1(6) . . ?
C9 N2 Os1 126.1(5) . . ?
C6 N2 Os1 124.6(5) . . ?
C14 N3 C11 108.1(6) . . ?
C14 N3 Os1 125.3(5) . . ?
C11 N3 Os1 126.4(5) . . ?
C19 N4 C16 108.0(6) . . ?
C19 N4 Os1 127.0(5) . . ?
C16 N4 Os1 124.8(5) . . ?
N1 C1 C20 126.0(7) . . ?
N1 C1 C2 107.3(6) . . ?
C20 C1 C2 126.7(7) . . ?
C3 C2 C1 108.2(7) . . ?
C2 C3 C4 107.8(7) . . ?
N1 C4 C3 108.8(7) . . ?
N1 C4 C5 124.0(7) . . ?
C3 C4 C5 127.2(7) . . ?
C6 C5 C4 128.1(7) . . ?
C6 C5 C21 116.3(7) . . ?
C4 C5 C21 115.6(7) . . ?
N2 C6 C5 126.5(7) . . ?
N2 C6 C7 105.9(7) . . ?
C5 C6 C7 127.6(7) . . ?
C8 C7 C6 110.1(8) . . ?
C7 C8 C9 106.6(8) . . ?
N2 C9 C10 127.3(7) . . ?
N2 C9 C8 108.3(7) . . ?
C10 C9 C8 124.5(8) . . ?
C9 C10 C11 124.6(7) . . ?
C9 C10 C28 117.8(7) . . ?
C11 C10 C28 117.6(7) . . ?
N3 C11 C10 126.3(7) . . ?
N3 C11 C12 108.4(7) . . ?
C10 C11 C12 125.3(8) . . ?
C13 C12 C11 107.2(8) . . ?
C12 C13 C14 107.3(7) . . ?
N3 C14 C15 125.7(7) . . ?
N3 C14 C13 109.0(7) . . ?
C15 C14 C13 125.3(8) . . ?
C16 C15 C14 127.3(7) . . ?
C16 C15 C35 116.0(7) . . ?
C14 C15 C35 116.6(7) . . ?
C15 C16 N4 125.8(7) . . ?
C15 C16 C17 126.8(7) . . ?
N4 C16 C17 107.4(7) . . ?
C18 C17 C16 108.9(7) . . ?
C17 C18 C19 107.1(7) . . ?
N4 C19 C20 126.3(6) . . ?
N4 C19 C18 108.6(6) . . ?
C20 C19 C18 125.1(7) . . ?
C19 C20 C1 125.2(7) . . ?
C19 C20 C42 116.7(7) . . ?
C1 C20 C42 118.1(7) . . ?
C22 C21 C26 118.0(7) . . ?
C22 C21 C5 121.7(7) . . ?
C26 C21 C5 120.3(7) . . ?
C23 C22 C21 120.1(7) . . ?
C22 C23 C24 122.5(8) . . ?
C25 C24 C23 116.4(8) . . ?
C25 C24 C27 122.5(8) . . ?
C23 C24 C27 121.0(9) . . ?
C26 C25 C24 122.5(8) . . ?
C25 C26 C21 120.5(8) . . ?
C29 C28 C33 118.0(9) . . ?
C29 C28 C10 120.6(8) . . ?
C33 C28 C10 121.4(8) . . ?
C28 C29 C30 120.8(9) . . ?
C29 C30 C31 122.7(10) . . ?
C32 C31 C30 115.3(10) . . ?
C32 C31 C34 122.3(10) . . ?
C30 C31 C34 122.3(10) . . ?
C31 C32 C33 122.0(10) . . ?
C28 C33 C32 121.0(10) . . ?
C36 C35 C40 116.5(8) . . ?
C36 C35 C15 121.9(8) . . ?
C40 C35 C15 121.5(8) . . ?
C35 C36 C37 120.8(8) . . ?
C38 C37 C36 121.3(9) . . ?
C37 C38 C39 117.4(9) . . ?
C37 C38 C41 120.8(10) . . ?
C39 C38 C41 121.7(10) . . ?
C40 C39 C38 121.7(9) . . ?
C39 C40 C35 122.2(9) . . ?
C43 C42 C47 116.4(9) . . ?
C43 C42 C20 120.7(7) . . ?
C47 C42 C20 122.7(8) . . ?
C44 C43 C42 121.4(10) . . ?
C43 C44 C45 122.4(12) . . ?
C46 C45 C44 115.5(11) . . ?
C46 C45 C48 121.7(12) . . ?
C44 C45 C48 122.7(13) . . ?
C45 C46 C47 123.0(10) . . ?
C46 C47 C42 121.3(10) . . ?
C55 N5 C49 111.8(6) . . ?
C55 N5 Os1 124.0(5) . . ?
C49 N5 Os1 124.1(5) . . ?
C50 C49 C54 119.5(8) . . ?
C50 C49 N5 119.7(7) . . ?
C54 C49 N5 120.8(7) . . ?
C49 C50 C51 119.5(9) . . ?
C52 C51 C50 119.9(10) . . ?
C53 C52 C51 121.1(9) . . ?
C52 C53 C54 119.6(10) . . ?
C53 C54 C49 120.4(9) . . ?
C56 C55 C60 121.9(9) . . ?
C56 C55 N5 120.3(8) . . ?
C60 C55 N5 117.8(8) . . ?
C55 C56 C57 120.2(11) . . ?
C58 C57 C56 122.4(14) . . ?
C57 C58 C59 120.5(15) . . ?
C58 C59 C60 121.6(12) . . ?
C55 C60 C59 113.4(10) . . ?
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 N5 1.944(6) . ?
Os1 O1 1.952(5) . ?
Os1 N4 2.062(6) . ?
Os1 N1 2.066(6) . ?
Os1 N3 2.075(6) . ?
Os1 N2 2.085(6) . ?
N1 C4 1.382(9) . ?
N1 C1 1.388(9) . ?
N2 C9 1.360(9) . ?
N2 C6 1.369(9) . ?
N3 C14 1.357(9) . ?
N3 C11 1.374(10) . ?
N4 C19 1.367(9) . ?
N4 C16 1.385(8) . ?
C1 C20 1.413(9) . ?
C1 C2 1.434(10) . ?
C2 C3 1.362(10) . ?
C3 C4 1.411(11) . ?
C4 C5 1.413(11) . ?
C5 C6 1.374(11) . ?
C5 C21 1.511(10) . ?
C6 C7 1.411(10) . ?
C7 C8 1.335(11) . ?
C8 C9 1.411(10) . ?
C9 C10 1.397(11) . ?
C10 C11 1.411(10) . ?
C10 C28 1.502(11) . ?
C11 C12 1.427(10) . ?
C12 C13 1.367(11) . ?
C13 C14 1.424(11) . ?
C14 C15 1.404(11) . ?
C15 C16 1.381(10) . ?
C15 C35 1.515(10) . ?
C16 C17 1.421(10) . ?
C17 C18 1.346(10) . ?
C18 C19 1.429(9) . ?
C19 C20 1.382(10) . ?
C20 C42 1.492(11) . ?
C21 C22 1.391(10) . ?
C21 C26 1.390(11) . ?
C22 C23 1.375(10) . ?
C23 C24 1.389(11) . ?
C24 C25 1.377(12) . ?
C24 C27 1.492(11) . ?
C25 C26 1.373(11) . ?
C28 C29 1.342(11) . ?
C28 C33 1.359(12) . ?
C29 C30 1.367(13) . ?
C30 C31 1.374(14) . ?
C31 C32 1.361(14) . ?
C31 C34 1.545(13) . ?
C32 C33 1.375(14) . ?
C35 C36 1.375(11) . ?
C35 C40 1.378(11) . ?
C36 C37 1.399(11) . ?
C37 C38 1.360(12) . ?
C38 C39 1.370(13) . ?
C38 C41 1.520(12) . ?
C39 C40 1.354(12) . ?
C42 C43 1.358(12) . ?
C42 C47 1.380(11) . ?
C43 C44 1.357(13) . ?
C44 C45 1.386(15) . ?
C45 C46 1.341(15) . ?
C45 C48 1.537(14) . ?
C46 C47 1.360(13) . ?
N5 C55 1.454(10) . ?
N5 C49 1.457(9) . ?
C49 C50 1.373(10) . ?
C49 C54 1.377(11) . ?
C50 C51 1.384(12) . ?
C51 C52 1.361(14) . ?
C52 C53 1.350(14) . ?
C53 C54 1.376(12) . ?
C55 C56 1.357(12) . ?
C55 C60 1.392(11) . ?
C56 C57 1.379(14) . ?
C57 C58 1.272(16) . ?
C58 C59 1.366(17) . ?
C59 C60 1.474(16) . ?
