#------------------------------------------------------------------------------
#$Date: 2017-01-09 05:25:54 +0200 (Mon, 09 Jan 2017) $
#$Revision: 190161 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/09/7040949.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_7040949
loop_
_publ_author_name
'Hazari, Arijit Singha'
'Paretzki, Alexa'
'Fiedler, Jan'
'Zalis, Stanislav'
'Kaim, Wolfgang'
'Lahiri, Goutam Kumar'
_publ_section_title
;
 Different manifestations of enhanced π-acceptor ligation at every redox
 level of [Os(9-OP)L2](n), n = 2+, +, 0, - (9-OP(-) = 9-oxidophenalenone
 and L = bpy or pap).
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18241
_journal_page_last               18251
_journal_paper_doi               10.1039/c6dt03764j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C39 H29 Cl N4 O6 Os'
_chemical_formula_weight         875.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-03-12 deposited with the CCDC.
2016-10-17 downloaded from the CCDC.
;
_cell_angle_alpha                110.800(3)
_cell_angle_beta                 97.5790(10)
_cell_angle_gamma                112.346(3)
_cell_formula_units_Z            2
_cell_length_a                   11.694(3)
_cell_length_b                   12.469(4)
_cell_length_c                   13.505(4)
_cell_measurement_reflns_used    6089
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.3
_cell_measurement_theta_min      3.1
_cell_volume                     1619.5(8)
_computing_cell_refinement
'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_data_reduction
'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11713
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    4.072
_exptl_absorpt_correction_T_max  0.9604
_exptl_absorpt_correction_T_min  0.4293
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'(a) Busing, W. R.; Levy, H. A. Acta Crystallogr. 1957, 10, 180-182. (b) Coppens, P.; Leiserowitz, L.; Rabinovich, D. Acta Crystallogr. 1965, 18, 1035-1038'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             804
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.903
_refine_diff_density_min         -0.677
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         5606
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0327P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0668
_reflns_number_gt                5245
_reflns_number_total             5606
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt03764j2.cif
_cod_data_source_block           1ClO4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7040949--7040950.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7040949
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Os1 Os 0.205464(16) 0.260097(14) 0.479462(13) 0.01754(7) Uani 1 1 d .
Cl1 Cl 0.00666(11) 0.28409(10) 0.09438(9) 0.0270(3) Uani 1 1 d .
O2 O 0.2191(3) 0.1015(3) 0.4791(2) 0.0200(6) Uani 1 1 d .
O1 O 0.3738(3) 0.3782(3) 0.6085(2) 0.0213(7) Uani 1 1 d .
O3 O 0.1233(3) 0.2712(3) 0.0989(3) 0.0439(9) Uani 1 1 d .
O6 O -0.0185(5) 0.3028(4) 0.1986(3) 0.0595(12) Uani 1 1 d .
O5 O 0.0158(4) 0.3886(3) 0.0707(3) 0.0503(10) Uani 1 1 d .
O4 O -0.0998(4) 0.1657(3) 0.0108(3) 0.0587(12) Uani 1 1 d .
N4 N 0.1155(3) 0.2826(3) 0.6002(3) 0.0176(8) Uani 1 1 d .
N3 N 0.1892(3) 0.4196(3) 0.4941(3) 0.0176(8) Uani 1 1 d .
N2 N 0.0523(3) 0.1352(3) 0.3411(3) 0.0186(8) Uani 1 1 d .
N1 N 0.2957(3) 0.2446(3) 0.3597(3) 0.0181(8) Uani 1 1 d .
C33 C 0.0689(4) 0.1990(4) 0.6444(4) 0.0246(10) Uani 1 1 d .
H33 H 0.0634 0.1155 0.6101 0.029 Uiso 1 1 calc R
C32 C 0.0293(5) 0.2314(4) 0.7373(4) 0.0290(11) Uani 1 1 d .
H32 H -0.0017 0.1713 0.7672 0.035 Uiso 1 1 calc R
C31 C 0.0345(5) 0.3518(4) 0.7873(4) 0.0283(11) Uani 1 1 d .
H31 H 0.0097 0.3763 0.8528 0.034 Uiso 1 1 calc R
C30 C 0.0769(4) 0.4358(4) 0.7399(4) 0.0288(11) Uani 1 1 d .
H30 H 0.0794 0.5183 0.7719 0.035 Uiso 1 1 calc R
C29 C 0.1156(4) 0.3997(4) 0.6458(3) 0.0194(9) Uani 1 1 d .
C28 C 0.1547(4) 0.4763(4) 0.5850(3) 0.0200(9) Uani 1 1 d .
C27 C 0.1504(4) 0.5925(4) 0.6092(4) 0.0238(10) Uani 1 1 d .
H27 H 0.1284 0.6314 0.6731 0.029 Uiso 1 1 calc R
C26 C 0.1782(4) 0.6503(4) 0.5402(4) 0.0281(11) Uani 1 1 d .
H26 H 0.1762 0.7301 0.5563 0.034 Uiso 1 1 calc R
C25 C 0.2094(4) 0.5917(4) 0.4462(4) 0.0262(10) Uani 1 1 d .
H25 H 0.2273 0.6301 0.3969 0.031 Uiso 1 1 calc R
C24 C 0.2139(4) 0.4788(4) 0.4261(4) 0.0251(10) Uani 1 1 d .
H24 H 0.2351 0.4394 0.3619 0.030 Uiso 1 1 calc R
C23 C -0.0742(4) 0.0835(4) 0.3373(4) 0.0210(9) Uani 1 1 d .
H23 H -0.0951 0.1134 0.4041 0.025 Uiso 1 1 calc R
C22 C -0.1731(4) -0.0094(4) 0.2421(4) 0.0266(10) Uani 1 1 d .
H22 H -0.2602 -0.0435 0.2438 0.032 Uiso 1 1 calc R
C21 C -0.1455(4) -0.0541(4) 0.1423(4) 0.0251(10) Uani 1 1 d .
H21 H -0.2129 -0.1184 0.0750 0.030 Uiso 1 1 calc R
C20 C -0.0177(4) -0.0023(4) 0.1444(4) 0.0242(10) Uani 1 1 d .
H20 H 0.0039 -0.0313 0.0778 0.029 Uiso 1 1 calc R
C19 C 0.0803(4) 0.0923(4) 0.2432(3) 0.0193(9) Uani 1 1 d .
C18 C 0.2180(4) 0.1531(4) 0.2539(3) 0.0181(9) Uani 1 1 d .
C17 C 0.2700(4) 0.1269(4) 0.1668(4) 0.0224(10) Uani 1 1 d .
H17 H 0.2150 0.0633 0.0939 0.027 Uiso 1 1 calc R
C16 C 0.4021(4) 0.1938(4) 0.1866(4) 0.0262(10) Uani 1 1 d .
H16 H 0.4392 0.1753 0.1281 0.031 Uiso 1 1 calc R
C15 C 0.4795(4) 0.2882(4) 0.2927(4) 0.0254(10) Uani 1 1 d .
H15 H 0.5702 0.3369 0.3075 0.030 Uiso 1 1 calc R
C14 C 0.4245(4) 0.3111(4) 0.3766(4) 0.0239(10) Uani 1 1 d .
H14 H 0.4787 0.3761 0.4492 0.029 Uiso 1 1 calc R
C10 C 0.3036(4) -0.0249(4) 0.5151(4) 0.0234(10) Uani 1 1 d .
H10 H 0.2296 -0.0992 0.4586 0.028 Uiso 1 1 calc R
C9 C 0.3967(5) -0.0396(4) 0.5705(4) 0.0270(11) Uani 1 1 d .
H9 H 0.3870 -0.1244 0.5505 0.032 Uiso 1 1 calc R
C8 C 0.5086(4) 0.0662(4) 0.6577(4) 0.0253(10) Uani 1 1 d .
C7 C 0.6061(5) 0.0507(5) 0.7127(4) 0.0348(12) Uani 1 1 d .
H7 H 0.5976 -0.0338 0.6922 0.042 Uiso 1 1 calc R
C6 C 0.7136(5) 0.1536(5) 0.7952(4) 0.0377(12) Uani 1 1 d .
H6 H 0.7788 0.1408 0.8320 0.045 Uiso 1 1 calc R
C5 C 0.7268(5) 0.2768(5) 0.8248(4) 0.0355(12) Uani 1 1 d .
H5 H 0.8003 0.3483 0.8839 0.043 Uiso 1 1 calc R
C4 C 0.6341(4) 0.2984(4) 0.7693(4) 0.0274(11) Uani 1 1 d .
C3 C 0.6495(5) 0.4254(4) 0.7982(4) 0.0272(11) Uani 1 1 d .
H3 H 0.7231 0.4965 0.8575 0.033 Uiso 1 1 calc R
C2 C 0.5625(4) 0.4479(4) 0.7439(4) 0.0261(10) Uani 1 1 d .
H2 H 0.5773 0.5343 0.7644 0.031 Uiso 1 1 calc R
C1 C 0.4482(4) 0.3439(4) 0.6560(3) 0.0187(9) Uani 1 1 d .
C12 C 0.4262(4) 0.2116(4) 0.6258(3) 0.0194(9) Uani 1 1 d .
C11 C 0.3139(4) 0.1010(4) 0.5396(3) 0.0192(9) Uani 1 1 d .
C13 C 0.5222(4) 0.1926(4) 0.6838(3) 0.0219(10) Uani 1 1 d .
C34 C 0.5898(5) 0.4733(5) 0.0516(4) 0.0429(13) Uani 1 1 d .
H34 H 0.6512 0.4556 0.0873 0.052 Uiso 1 1 calc R
C35 C 0.6200(6) 0.5974(5) 0.0672(5) 0.0463(14) Uani 1 1 d .
H35 H 0.7036 0.6659 0.1137 0.056 Uiso 1 1 calc R
C36 C 0.5309(6) 0.6238(5) 0.0165(5) 0.0449(14) Uani 1 1 d .
H36 H 0.5534 0.7102 0.0290 0.054 Uiso 1 1 calc R
C37 C 0.5199(5) 0.9531(5) 0.0751(4) 0.0394(13) Uani 1 1 d .
H37 H 0.5332 0.9199 0.1265 0.047 Uiso 1 1 calc R
C38 C 0.3997(5) 0.8931(5) -0.0049(4) 0.0374(13) Uani 1 1 d .
H38 H 0.3311 0.8196 -0.0069 0.045 Uiso 1 1 calc R
C39 C 0.3784(5) 0.9372(5) -0.0800(4) 0.0390(13) Uani 1 1 d .
H39 H 0.2961 0.8947 -0.1350 0.047 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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
N3 Os1 N2 96.46(14) . .
N3 Os1 N1 98.83(13) . .
N2 Os1 N1 79.02(14) . .
N3 Os1 O1 87.54(13) . .
N2 Os1 O1 172.85(11) . .
N1 Os1 O1 94.54(13) . .
N3 Os1 O2 174.52(11) . .
N2 Os1 O2 86.18(13) . .
N1 Os1 O2 86.37(12) . .
O1 Os1 O2 90.34(12) . .
N3 Os1 N4 78.91(13) . .
N2 Os1 N4 101.42(13) . .
N1 Os1 N4 177.72(12) . .
O1 Os1 N4 85.13(12) . .
O2 Os1 N4 95.88(12) . .
O5 Cl1 O3 111.5(2) . .
O5 Cl1 O4 110.2(3) . .
O3 Cl1 O4 108.8(2) . .
O5 Cl1 O6 110.1(2) . .
O3 Cl1 O6 109.0(3) . .
O4 Cl1 O6 107.1(3) . .
C11 O2 Os1 126.8(3) . .
C1 O1 Os1 127.1(3) . .
C33 N4 C29 118.6(3) . .
C33 N4 Os1 126.2(3) . .
C29 N4 Os1 114.8(3) . .
C24 N3 C28 117.6(3) . .
C24 N3 Os1 126.5(3) . .
C28 N3 Os1 115.8(3) . .
C23 N2 C19 117.5(4) . .
C23 N2 Os1 125.9(3) . .
C19 N2 Os1 116.4(3) . .
C14 N1 C18 118.2(3) . .
C14 N1 Os1 126.0(3) . .
C18 N1 Os1 115.8(3) . .
N4 C33 C32 122.0(4) . .
N4 C33 H33 119.0 . .
C32 C33 H33 119.0 . .
C33 C32 C31 119.9(4) . .
C33 C32 H32 120.1 . .
C31 C32 H32 120.1 . .
C32 C31 C30 118.5(4) . .
C32 C31 H31 120.7 . .
C30 C31 H31 120.7 . .
C31 C30 C29 120.0(4) . .
C31 C30 H30 120.0 . .
C29 C30 H30 120.0 . .
N4 C29 C30 120.8(4) . .
N4 C29 C28 114.1(3) . .
C30 C29 C28 125.0(4) . .
N3 C28 C27 121.3(4) . .
N3 C28 C29 114.1(3) . .
C27 C28 C29 124.5(4) . .
C26 C27 C28 119.4(4) . .
C26 C27 H27 120.3 . .
C28 C27 H27 120.3 . .
C27 C26 C25 119.7(4) . .
C27 C26 H26 120.1 . .
C25 C26 H26 120.1 . .
C24 C25 C26 119.0(4) . .
C24 C25 H25 120.5 . .
C26 C25 H25 120.5 . .
C25 C24 N3 122.9(4) . .
C25 C24 H24 118.5 . .
N3 C24 H24 118.5 . .
N2 C23 C22 123.3(4) . .
N2 C23 H23 118.4 . .
C22 C23 H23 118.4 . .
C23 C22 C21 119.6(4) . .
C23 C22 H22 120.2 . .
C21 C22 H22 120.2 . .
C20 C21 C22 117.9(4) . .
C20 C21 H21 121.0 . .
C22 C21 H21 121.0 . .
C21 C20 C19 120.6(4) . .
C21 C20 H20 119.7 . .
C19 C20 H20 119.7 . .
N2 C19 C20 121.0(4) . .
N2 C19 C18 114.3(4) . .
C20 C19 C18 124.7(4) . .
N1 C18 C17 121.1(4) . .
N1 C18 C19 113.9(3) . .
C17 C18 C19 124.9(4) . .
C16 C17 C18 119.7(4) . .
C16 C17 H17 120.2 . .
C18 C17 H17 120.2 . .
C17 C16 C15 119.0(4) . .
C17 C16 H16 120.5 . .
C15 C16 H16 120.5 . .
C14 C15 C16 119.5(4) . .
C14 C15 H15 120.2 . .
C16 C15 H15 120.2 . .
N1 C14 C15 122.5(4) . .
N1 C14 H14 118.7 . .
C15 C14 H14 118.7 . .
C9 C10 C11 121.3(4) . .
C9 C10 H10 119.4 . .
C11 C10 H10 119.4 . .
C10 C9 C8 122.8(4) . .
C10 C9 H9 118.6 . .
C8 C9 H9 118.6 . .
C7 C8 C9 122.6(4) . .
C7 C8 C13 120.0(4) . .
C9 C8 C13 117.3(4) . .
C6 C7 C8 121.7(5) . .
C6 C7 H7 119.1 . .
C8 C7 H7 119.1 . .
C7 C6 C5 119.3(5) . .
C7 C6 H6 120.3 . .
C5 C6 H6 120.3 . .
C6 C5 C4 121.4(5) . .
C6 C5 H5 119.3 . .
C4 C5 H5 119.3 . .
C5 C4 C13 119.9(4) . .
C5 C4 C3 121.2(5) . .
C13 C4 C3 118.9(4) . .
C2 C3 C4 121.9(4) . .
C2 C3 H3 119.0 . .
C4 C3 H3 119.0 . .
C3 C2 C1 121.2(4) . .
C3 C2 H2 119.4 . .
C1 C2 H2 119.4 . .
O1 C1 C2 115.3(4) . .
O1 C1 C12 125.8(4) . .
C2 C1 C12 118.9(4) . .
C13 C12 C11 119.1(4) . .
C13 C12 C1 118.0(4) . .
C11 C12 C1 122.9(4) . .
O2 C11 C12 126.8(4) . .
O2 C11 C10 115.0(4) . .
C12 C11 C10 118.3(4) . .
C4 C13 C8 117.6(4) . .
C4 C13 C12 121.1(4) . .
C8 C13 C12 121.3(4) . .
C36 C34 C35 118.3(5) 2_665 .
C36 C34 H34 120.8 2_665 .
C35 C34 H34 120.8 . .
C34 C35 C36 121.1(5) . .
C34 C35 H35 119.5 . .
C36 C35 H35 119.5 . .
C34 C36 C35 120.6(5) 2_665 .
C34 C36 H36 119.7 2_665 .
C35 C36 H36 119.7 . .
C38 C37 C39 119.9(5) . 2_675
C38 C37 H37 120.0 . .
C39 C37 H37 120.0 2_675 .
C39 C38 C37 121.4(5) . .
C39 C38 H38 119.3 . .
C37 C38 H38 119.3 . .
C38 C39 C37 118.7(5) . 2_675
C38 C39 H39 120.7 . .
C37 C39 H39 120.7 2_675 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Os1 N3 2.012(3) .
Os1 N2 2.014(4) .
Os1 N1 2.037(3) .
Os1 O1 2.037(3) .
Os1 O2 2.042(3) .
Os1 N4 2.048(3) .
Cl1 O5 1.418(4) .
Cl1 O3 1.429(3) .
Cl1 O4 1.432(4) .
Cl1 O6 1.432(4) .
O2 C11 1.292(5) .
O1 C1 1.297(5) .
N4 C33 1.355(5) .
N4 C29 1.367(5) .
N3 C24 1.364(5) .
N3 C28 1.378(5) .
N2 C23 1.356(5) .
N2 C19 1.373(5) .
N1 C14 1.353(5) .
N1 C18 1.371(5) .
C33 C32 1.375(6) .
C33 H33 0.9500 .
C32 C31 1.382(6) .
C32 H32 0.9500 .
C31 C30 1.385(6) .
C31 H31 0.9500 .
C30 C29 1.387(6) .
C30 H30 0.9500 .
C29 C28 1.457(6) .
C28 C27 1.390(5) .
C27 C26 1.368(6) .
C27 H27 0.9500 .
C26 C25 1.396(6) .
C26 H26 0.9500 .
C25 C24 1.359(6) .
C25 H25 0.9500 .
C24 H24 0.9500 .
C23 C22 1.365(6) .
C23 H23 0.9500 .
C22 C21 1.397(6) .
C22 H22 0.9500 .
C21 C20 1.376(6) .
C21 H21 0.9500 .
C20 C19 1.391(6) .
C20 H20 0.9500 .
C19 C18 1.457(6) .
C18 C17 1.389(5) .
C17 C16 1.380(6) .
C17 H17 0.9500 .
C16 C15 1.382(6) .
C16 H16 0.9500 .
C15 C14 1.371(6) .
C15 H15 0.9500 .
C14 H14 0.9500 .
C10 C9 1.347(6) .
C10 C11 1.436(6) .
C10 H10 0.9500 .
C9 C8 1.420(6) .
C9 H9 0.9500 .
C8 C7 1.391(7) .
C8 C13 1.426(6) .
C7 C6 1.362(7) .
C7 H7 0.9500 .
C6 C5 1.382(7) .
C6 H6 0.9500 .
C5 C4 1.399(6) .
C5 H5 0.9500 .
C4 C13 1.412(6) .
C4 C3 1.421(6) .
C3 C2 1.348(6) .
C3 H3 0.9500 .
C2 C1 1.431(6) .
C2 H2 0.9500 .
C1 C12 1.458(6) .
C12 C13 1.425(6) .
C12 C11 1.435(6) .
C34 C36 1.368(8) 2_665
C34 C35 1.377(7) .
C34 H34 0.9500 .
C35 C36 1.376(8) .
C35 H35 0.9500 .
C36 C34 1.368(8) 2_665
C36 H36 0.9500 .
C37 C38 1.388(7) .
C37 C39 1.403(7) 2_675
C37 H37 0.9500 .
C38 C39 1.351(7) .
C38 H38 0.9500 .
C39 C37 1.403(7) 2_675
C39 H39 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N3 Os1 O2 C11 -72.0(13) . .
N2 Os1 O2 C11 169.0(3) . .
N1 Os1 O2 C11 89.8(3) . .
O1 Os1 O2 C11 -4.8(3) . .
N4 Os1 O2 C11 -89.9(3) . .
N3 Os1 O1 C1 177.4(3) . .
N2 Os1 O1 C1 -58.3(10) . .
N1 Os1 O1 C1 -83.9(3) . .
O2 Os1 O1 C1 2.5(3) . .
N4 Os1 O1 C1 98.3(3) . .
N3 Os1 N4 C33 173.3(4) . .
N2 Os1 N4 C33 78.9(4) . .
N1 Os1 N4 C33 180(100) . .
O1 Os1 N4 C33 -98.2(4) . .
O2 Os1 N4 C33 -8.4(4) . .
N3 Os1 N4 C29 -13.4(3) . .
N2 Os1 N4 C29 -107.8(3) . .
N1 Os1 N4 C29 -7(3) . .
O1 Os1 N4 C29 75.1(3) . .
O2 Os1 N4 C29 164.9(3) . .
N2 Os1 N3 C24 -70.2(4) . .
N1 Os1 N3 C24 9.6(4) . .
O1 Os1 N3 C24 103.9(4) . .
O2 Os1 N3 C24 171.2(11) . .
N4 Os1 N3 C24 -170.6(4) . .
N2 Os1 N3 C28 112.6(3) . .
N1 Os1 N3 C28 -167.5(3) . .
O1 Os1 N3 C28 -73.3(3) . .
O2 Os1 N3 C28 -6.0(14) . .
N4 Os1 N3 C28 12.2(3) . .
N3 Os1 N2 C23 -80.6(3) . .
N1 Os1 N2 C23 -178.3(3) . .
O1 Os1 N2 C23 155.6(8) . .
O2 Os1 N2 C23 94.6(3) . .
N4 Os1 N2 C23 -0.6(3) . .
N3 Os1 N2 C19 104.2(3) . .
N1 Os1 N2 C19 6.5(3) . .
O1 Os1 N2 C19 -19.6(11) . .
O2 Os1 N2 C19 -80.6(3) . .
N4 Os1 N2 C19 -175.8(3) . .
N3 Os1 N1 C14 81.5(3) . .
N2 Os1 N1 C14 176.4(4) . .
O1 Os1 N1 C14 -6.8(3) . .
O2 Os1 N1 C14 -96.8(3) . .
N4 Os1 N1 C14 75(3) . .
N3 Os1 N1 C18 -102.1(3) . .
N2 Os1 N1 C18 -7.1(3) . .
O1 Os1 N1 C18 169.7(3) . .
O2 Os1 N1 C18 79.7(3) . .
N4 Os1 N1 C18 -109(3) . .
C29 N4 C33 C32 -3.9(7) . .
Os1 N4 C33 C32 169.1(3) . .
N4 C33 C32 C31 1.0(7) . .
C33 C32 C31 C30 1.7(7) . .
C32 C31 C30 C29 -1.4(7) . .
C33 N4 C29 C30 4.1(6) . .
Os1 N4 C29 C30 -169.7(3) . .
C33 N4 C29 C28 -173.8(4) . .
Os1 N4 C29 C28 12.3(5) . .
C31 C30 C29 N4 -1.5(7) . .
C31 C30 C29 C28 176.3(4) . .
C24 N3 C28 C27 -2.6(6) . .
Os1 N3 C28 C27 174.8(3) . .
C24 N3 C28 C29 173.3(4) . .
Os1 N3 C28 C29 -9.3(5) . .
N4 C29 C28 N3 -2.2(5) . .
C30 C29 C28 N3 179.9(4) . .
N4 C29 C28 C27 173.6(4) . .
C30 C29 C28 C27 -4.3(7) . .
N3 C28 C27 C26 1.4(6) . .
C29 C28 C27 C26 -174.0(4) . .
C28 C27 C26 C25 0.5(7) . .
C27 C26 C25 C24 -1.2(7) . .
C26 C25 C24 N3 -0.1(7) . .
C28 N3 C24 C25 1.9(6) . .
Os1 N3 C24 C25 -175.2(3) . .
C19 N2 C23 C22 1.1(6) . .
Os1 N2 C23 C22 -174.0(3) . .
N2 C23 C22 C21 -0.8(7) . .
C23 C22 C21 C20 0.4(7) . .
C22 C21 C20 C19 -0.4(7) . .
C23 N2 C19 C20 -1.1(6) . .
Os1 N2 C19 C20 174.5(3) . .
C23 N2 C19 C18 179.5(3) . .
Os1 N2 C19 C18 -4.8(4) . .
C21 C20 C19 N2 0.8(7) . .
C21 C20 C19 C18 -179.9(4) . .
C14 N1 C18 C17 1.5(6) . .
Os1 N1 C18 C17 -175.3(3) . .
C14 N1 C18 C19 -176.6(3) . .
Os1 N1 C18 C19 6.6(4) . .
N2 C19 C18 N1 -1.2(5) . .
C20 C19 C18 N1 179.4(4) . .
N2 C19 C18 C17 -179.2(4) . .
C20 C19 C18 C17 1.4(7) . .
N1 C18 C17 C16 0.1(6) . .
C19 C18 C17 C16 178.0(4) . .
C18 C17 C16 C15 -1.7(7) . .
C17 C16 C15 C14 1.7(7) . .
C18 N1 C14 C15 -1.5(6) . .
Os1 N1 C14 C15 174.9(3) . .
C16 C15 C14 N1 -0.1(7) . .
C11 C10 C9 C8 1.5(6) . .
C10 C9 C8 C7 -178.3(4) . .
C10 C9 C8 C13 -1.7(6) . .
C9 C8 C7 C6 179.1(4) . .
C13 C8 C7 C6 2.7(7) . .
C8 C7 C6 C5 -0.4(7) . .
C7 C6 C5 C4 -2.1(7) . .
C6 C5 C4 C13 2.2(7) . .
C6 C5 C4 C3 -178.5(4) . .
C5 C4 C3 C2 178.5(4) . .
C13 C4 C3 C2 -2.2(6) . .
C4 C3 C2 C1 1.6(7) . .
Os1 O1 C1 C2 178.8(3) . .
Os1 O1 C1 C12 0.2(6) . .
C3 C2 C1 O1 -178.4(4) . .
C3 C2 C1 C12 0.4(6) . .
O1 C1 C12 C13 176.9(4) . .
C2 C1 C12 C13 -1.8(5) . .
O1 C1 C12 C11 -2.0(6) . .
C2 C1 C12 C11 179.4(4) . .
Os1 O2 C11 C12 4.7(6) . .
Os1 O2 C11 C10 -174.6(2) . .
C13 C12 C11 O2 -179.5(4) . .
C1 C12 C11 O2 -0.7(6) . .
C13 C12 C11 C10 -0.3(6) . .
C1 C12 C11 C10 178.6(3) . .
C9 C10 C11 O2 178.9(4) . .
C9 C10 C11 C12 -0.4(6) . .
C5 C4 C13 C8 0.1(6) . .
C3 C4 C13 C8 -179.1(4) . .
C5 C4 C13 C12 180.0(4) . .
C3 C4 C13 C12 0.7(6) . .
C7 C8 C13 C4 -2.5(6) . .
C9 C8 C13 C4 -179.1(4) . .
C7 C8 C13 C12 177.6(4) . .
C9 C8 C13 C12 1.0(6) . .
C11 C12 C13 C4 -179.9(4) . .
C1 C12 C13 C4 1.2(6) . .
C11 C12 C13 C8 0.0(6) . .
C1 C12 C13 C8 -178.9(4) . .
C36 C34 C35 C36 0.6(9) 2_665 .
C34 C35 C36 C34 -0.7(9) . 2_665
C39 C37 C38 C39 0.8(8) 2_675 .
C37 C38 C39 C37 -0.8(8) . 2_675
