#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:13:45 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180294 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/08/7150828.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_7150828
loop_
_publ_author_name
'Umemoto, Tadashi'
'Okamoto, Akimitsu'
_publ_section_title
;
 Synthesis and characterization of the 5-methyl-2′-deoxycytidine
 glycol--dioxoosmium--bipyridine ternary complex in DNA
;
_journal_issue                   2
_journal_name_full               'Organic &  Biomolecular Chemistry'
_journal_page_first              269
_journal_page_last               271
_journal_paper_doi               10.1039/b716400a
_journal_volume                  6
_journal_year                    2008
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C20 H22 N4 O9 Os, 4(H2 O)'
_chemical_formula_sum            'C20 H30 N4 O13 Os'
_chemical_formula_weight         724.68
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.2644(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.4747(13)
_cell_length_b                   6.7238(7)
_cell_length_c                   15.8519(19)
_cell_measurement_reflns_used    5797
_cell_measurement_temperature    90
_cell_measurement_theta_max      32.5967
_cell_measurement_theta_min      1.7890
_cell_volume                     1213.2(2)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-2004
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details
;
scan:
Number of images: 60
Slice: -10.0000 - 20.0000
Image width: 0.5000
Exp time: 16.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 0.0000
Phi: 0.0000
XTD: 40.0387
2theta: 20.0786
scan:
Number of images: 60
Slice: 20.0000 - 50.0000
Image width: 0.5000
Exp time: 16.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 20.0000
Phi: 0.0000
XTD: 40.0387
2theta: 20.0786
scan:
Number of images: 344
Slice: -70.0000 - 102.0000
Image width: 0.5000
Exp time: 16.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 50.0000
Phi: 90.0000
XTD: 40.0387
2theta: 20.0786
scan:
Number of images: 360
Slice: -70.0000 - 110.0000
Image width: 0.5000
Exp time: 16.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 50.0000
Phi: 180.0000
XTD: 40.0387
2theta: 20.0786
scan:
Number of images: 360
Slice: -70.0000 - 110.0000
Image width: 0.5000
Exp time: 16.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 50.0000
Phi: 135.0000
XTD: 40.0387
2theta: 20.0786

;
_diffrn_measurement_device_details
;
AFC8: Eulerian 3-circle
;
_diffrn_measurement_device_type
;
Rigaku AFC-8 with Saturn70 CCD detector
;
_diffrn_measurement_method       ω-scan
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.0040
_diffrn_orient_matrix_UB_12      0.0482
_diffrn_orient_matrix_UB_13      0.0733
_diffrn_orient_matrix_UB_21      0.1480
_diffrn_orient_matrix_UB_22      0.0072
_diffrn_orient_matrix_UB_23      -0.0128
_diffrn_orient_matrix_UB_31      -0.0052
_diffrn_orient_matrix_UB_32      0.0571
_diffrn_orient_matrix_UB_33      -0.0276
_diffrn_radiation_monochromator  cofocal
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0531
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21152
_diffrn_reflns_theta_full        31.00
_diffrn_reflns_theta_max         31.00
_diffrn_reflns_theta_min         1.79
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.333
_exptl_absorpt_correction_T_max  0.9489
_exptl_absorpt_correction_T_min  0.6292
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Numabs (Higashi, 1999)
Numabs, Numerical Absorption Correction,
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.984
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.877
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.101
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.009(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     357
_refine_ls_number_reflns         7525
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0212
_refine_ls_R_factor_gt           0.0176
_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)+(0.0069P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0450
_refine_ls_wR_factor_ref         0.0456
_reflns_number_gt                6583
_reflns_number_total             7525
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b716400a.txt
_cod_data_source_block           Os-complex
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7150828
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 0.207476(8) 0.55103(5) 0.166448(6) 0.00655(3) Uani 1 1 d . . .
O1 O 0.2999(2) 0.1399(3) 0.43479(14) 0.0117(5) Uani 1 1 d . . .
O2 O 0.4089(2) 0.6787(4) 0.52381(14) 0.0184(6) Uani 1 1 d . . .
O3 O 0.4798(2) 0.8836(4) 0.26359(16) 0.0184(6) Uani 1 1 d . . .
O4 O 0.38200(15) 0.5430(9) 0.18687(11) 0.0083(4) Uani 1 1 d . . .
O5 O 0.22124(17) 0.5254(7) 0.29087(12) 0.0136(8) Uani 1 1 d . . .
O6 O 0.1635(3) 0.1596(4) 0.59226(15) 0.0178(6) Uani 1 1 d . . .
H6H H 0.1730 0.0385 0.6041 0.027 Uiso 1 1 calc R . .
O7 O 0.0746(2) 0.1365(4) 0.31517(16) 0.0206(6) Uani 1 1 d . . .
H7H H 0.1276 0.2180 0.3071 0.031 Uiso 1 1 calc R . .
O8 O 0.1913(3) 0.2948(7) 0.1502(2) 0.0132(8) Uani 1 1 d . . .
O9 O 0.1989(3) 0.8103(7) 0.16450(19) 0.0103(8) Uani 1 1 d . . .
N1 N 0.3563(2) 0.4677(4) 0.41334(18) 0.0087(6) Uani 1 1 d . . .
N2 N 0.4368(2) 0.7815(4) 0.39091(17) 0.0119(6) Uani 1 1 d . . .
H2N H 0.4539 0.9009 0.4115 0.014 Uiso 1 1 calc R . .
N3 N 0.1802(2) 0.5661(10) 0.03186(13) 0.0077(6) Uani 1 1 d . . .
N4 N 0.02243(18) 0.5543(11) 0.13945(13) 0.0083(4) Uani 1 1 d . . .
C1 C 0.4003(3) 0.6400(5) 0.4476(2) 0.0112(7) Uani 1 1 d . . .
C2 C 0.4483(3) 0.7515(5) 0.3066(2) 0.0109(7) Uani 1 1 d . . .
C3 C 0.4258(2) 0.5406(12) 0.27562(16) 0.0086(7) Uani 1 1 d . . .
C4 C 0.3320(3) 0.4415(5) 0.32096(19) 0.0083(6) Uani 1 1 d . . .
H4 H 0.3302 0.2961 0.3076 0.010 Uiso 1 1 calc R . .
C5 C 0.3006(3) 0.3352(5) 0.4692(2) 0.0090(6) Uani 1 1 d . . .
H5 H 0.3468 0.3358 0.5271 0.011 Uiso 1 1 calc R . .
C6 C 0.1738(3) 0.3834(5) 0.4766(2) 0.0108(7) Uani 1 1 d . . .
H6A H 0.1317 0.4293 0.4217 0.013 Uiso 1 1 calc R . .
H6B H 0.1670 0.4855 0.5207 0.013 Uiso 1 1 calc R . .
C7 C 0.1282(3) 0.1818(5) 0.5024(2) 0.0119(7) Uani 1 1 d . . .
H7 H 0.0410 0.1707 0.4877 0.014 Uiso 1 1 calc R . .
C8 C 0.1930(2) 0.0402(12) 0.45000(18) 0.0130(7) Uani 1 1 d . . .
H8 H 0.2147 -0.0812 0.4849 0.016 Uiso 1 1 calc R . .
C9 C 0.1250(3) -0.0256(5) 0.3652(2) 0.0186(8) Uani 1 1 d . . .
H9A H 0.1787 -0.0994 0.3323 0.022 Uiso 1 1 calc R . .
H9B H 0.0615 -0.1177 0.3767 0.022 Uiso 1 1 calc R . .
C10 C 0.5425(3) 0.4264(6) 0.2885(2) 0.0148(7) Uani 1 1 d . . .
H10A H 0.5759 0.4333 0.3485 0.022 Uiso 1 1 calc R . .
H10B H 0.5975 0.4860 0.2533 0.022 Uiso 1 1 calc R . .
H10C H 0.5287 0.2871 0.2721 0.022 Uiso 1 1 calc R . .
C11 C 0.0658(2) 0.5553(11) -0.00415(15) 0.0076(5) Uani 1 1 d . . .
C12 C 0.2670(3) 0.5742(8) -0.01746(18) 0.0093(8) Uani 1 1 d . . .
H12 H 0.3460 0.5855 0.0084 0.011 Uiso 1 1 calc R . .
C13 C 0.2435(3) 0.5665(11) -0.10590(17) 0.0116(7) Uani 1 1 d . . .
H13 H 0.3057 0.5688 -0.1401 0.014 Uiso 1 1 calc R . .
C14 C 0.1271(2) 0.5552(11) -0.14310(15) 0.0108(5) Uani 1 1 d . . .
H14 H 0.1090 0.5535 -0.2033 0.013 Uiso 1 1 calc R . .
C15 C 0.0376(2) 0.5464(11) -0.09195(16) 0.0096(5) Uani 1 1 d . . .
H15 H -0.0420 0.5344 -0.1166 0.012 Uiso 1 1 calc R . .
C16 C -0.0220(2) 0.5537(13) 0.05590(15) 0.0079(5) Uani 1 1 d . . .
C17 C -0.0505(2) 0.5602(11) 0.19964(17) 0.0114(6) Uani 1 1 d . . .
H17 H -0.0180 0.5614 0.2578 0.014 Uiso 1 1 calc R . .
C18 C -0.1705(3) 0.5645(11) 0.17928(18) 0.0135(7) Uani 1 1 d . . .
H18 H -0.2203 0.5682 0.2228 0.016 Uiso 1 1 calc R . .
C19 C -0.2178(2) 0.5634(12) 0.09441(18) 0.0132(7) Uani 1 1 d . . .
H19 H -0.3005 0.5665 0.0790 0.016 Uiso 1 1 calc R . .
C20 C -0.1422(2) 0.5576(11) 0.03134(16) 0.0107(5) Uani 1 1 d . . .
H20 H -0.1730 0.5564 -0.0272 0.013 Uiso 1 1 calc R . .
O1W O 0.4975(3) 0.2785(6) 0.0866(3) 0.0299(9) Uani 1 1 d . . .
O2W O 0.2696(2) 0.4614(4) 0.69458(15) 0.0170(6) Uani 1 1 d . . .
O3W O -0.1348(2) 0.2809(4) 0.36224(16) 0.0196(6) Uani 1 1 d . . .
O4W O 0.5348(4) 0.3796(6) -0.0765(3) 0.0463(14) Uani 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'
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
O9 Os1 O8 167.54(10) . . ?
O9 Os1 O5 95.87(17) . . ?
O8 Os1 O5 93.16(18) . . ?
O9 Os1 O4 94.8(2) . . ?
O8 Os1 O4 94.8(2) . . ?
O5 Os1 O4 83.27(8) . . ?
O9 Os1 N4 86.1(2) . . ?
O8 Os1 N4 84.0(2) . . ?
O5 Os1 N4 98.93(8) . . ?
O4 Os1 N4 177.52(14) . . ?
O9 Os1 N3 86.2(2) . . ?
O8 Os1 N3 84.2(2) . . ?
O5 Os1 N3 175.53(16) . . ?
O4 Os1 N3 100.53(8) . . ?
N4 Os1 N3 77.22(8) . . ?
C5 O1 C8 109.1(3) . . ?
C3 O4 Os1 112.39(15) . . ?
C4 O5 Os1 109.11(18) . . ?
C7 O6 H6H 109.5 . . ?
C9 O7 H7H 109.5 . . ?
C1 N1 C5 116.8(3) . . ?
C1 N1 C4 121.2(3) . . ?
C5 N1 C4 119.3(3) . . ?
C2 N2 C1 126.5(3) . . ?
C2 N2 H2N 116.8 . . ?
C1 N2 H2N 116.8 . . ?
C12 N3 C11 120.2(2) . . ?
C12 N3 Os1 124.19(18) . . ?
C11 N3 Os1 115.49(18) . . ?
C17 N4 C16 120.1(2) . . ?
C17 N4 Os1 123.73(17) . . ?
C16 N4 Os1 116.18(16) . . ?
O2 C1 N1 123.8(3) . . ?
O2 C1 N2 119.4(3) . . ?
N1 C1 N2 116.7(3) . . ?
O3 C2 N2 121.0(3) . . ?
O3 C2 C3 124.0(3) . . ?
N2 C2 C3 114.8(3) . . ?
O4 C3 C2 109.4(5) . . ?
O4 C3 C4 106.7(3) . . ?
C2 C3 C4 111.1(3) . . ?
O4 C3 C10 109.2(3) . . ?
C2 C3 C10 108.4(3) . . ?
C4 C3 C10 112.0(5) . . ?
O5 C4 N1 109.7(3) . . ?
O5 C4 C3 108.9(3) . . ?
N1 C4 C3 111.3(3) . . ?
O5 C4 H4 109.0 . . ?
N1 C4 H4 109.0 . . ?
C3 C4 H4 109.0 . . ?
O1 C5 N1 108.2(3) . . ?
O1 C5 C6 105.7(3) . . ?
N1 C5 C6 114.7(3) . . ?
O1 C5 H5 109.4 . . ?
N1 C5 H5 109.4 . . ?
C6 C5 H5 109.4 . . ?
C5 C6 C7 101.4(3) . . ?
C5 C6 H6A 111.5 . . ?
C7 C6 H6A 111.5 . . ?
C5 C6 H6B 111.5 . . ?
C7 C6 H6B 111.5 . . ?
H6A C6 H6B 109.3 . . ?
O6 C7 C8 112.4(3) . . ?
O6 C7 C6 107.1(3) . . ?
C8 C7 C6 101.6(4) . . ?
O6 C7 H7 111.7 . . ?
C8 C7 H7 111.7 . . ?
C6 C7 H7 111.7 . . ?
O1 C8 C7 106.6(5) . . ?
O1 C8 C9 109.7(3) . . ?
C7 C8 C9 115.5(3) . . ?
O1 C8 H8 108.3 . . ?
C7 C8 H8 108.3 . . ?
C9 C8 H8 108.3 . . ?
O7 C9 C8 113.1(4) . . ?
O7 C9 H9A 109.0 . . ?
C8 C9 H9A 109.0 . . ?
O7 C9 H9B 109.0 . . ?
C8 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C3 C10 H10A 109.5 . . ?
C3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C11 C15 120.7(2) . . ?
N3 C11 C16 115.5(2) . . ?
C15 C11 C16 123.7(2) . . ?
N3 C12 C13 121.3(3) . . ?
N3 C12 H12 119.3 . . ?
C13 C12 H12 119.3 . . ?
C14 C13 C12 118.8(3) . . ?
C14 C13 H13 120.6 . . ?
C12 C13 H13 120.6 . . ?
C15 C14 C13 119.7(2) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C14 C15 C11 119.1(2) . . ?
C14 C15 H15 120.4 . . ?
C11 C15 H15 120.4 . . ?
N4 C16 C20 120.8(2) . . ?
N4 C16 C11 115.3(2) . . ?
C20 C16 C11 123.9(2) . . ?
N4 C17 C18 121.9(2) . . ?
N4 C17 H17 119.1 . . ?
C18 C17 H17 119.1 . . ?
C17 C18 C19 119.1(3) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 H18 120.5 . . ?
C18 C19 C20 119.3(3) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
C16 C20 C19 118.9(2) . . ?
C16 C20 H20 120.6 . . ?
C19 C20 H20 120.6 . . ?
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 O9 1.746(5) . ?
Os1 O8 1.749(5) . ?
Os1 O5 1.966(2) . ?
Os1 O4 1.9886(18) . ?
Os1 N4 2.112(2) . ?
Os1 N3 2.119(2) . ?
O1 C5 1.422(4) . ?
O1 C8 1.445(5) . ?
O2 C1 1.228(4) . ?
O3 C2 1.203(4) . ?
O4 C3 1.433(3) . ?
O5 C4 1.417(4) . ?
O6 C7 1.439(4) . ?
O6 H6H 0.8400 . ?
O7 C9 1.427(4) . ?
O7 H7H 0.8400 . ?
N1 C1 1.350(4) . ?
N1 C5 1.459(4) . ?
N1 C4 1.466(4) . ?
N2 C2 1.374(4) . ?
N2 C1 1.408(4) . ?
N2 H2N 0.8800 . ?
N3 C12 1.343(3) . ?
N3 C11 1.365(3) . ?
N4 C17 1.347(3) . ?
N4 C16 1.358(3) . ?
C2 C3 1.512(8) . ?
C3 C4 1.521(5) . ?
C3 C10 1.535(6) . ?
C4 H4 1.0000 . ?
C5 C6 1.509(4) . ?
C5 H5 1.0000 . ?
C6 C7 1.527(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.519(6) . ?
C7 H7 1.0000 . ?
C8 C9 1.531(5) . ?
C8 H8 1.0000 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C15 1.390(3) . ?
C11 C16 1.471(3) . ?
C12 C13 1.395(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.392(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(4) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C20 1.385(3) . ?
C17 C18 1.374(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.386(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.405(4) . ?
C19 H19 0.9500 . ?
C20 H20 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O9 Os1 O4 C3 90.5(5) . . . . ?
O8 Os1 O4 C3 -97.4(5) . . . . ?
O5 Os1 O4 C3 -4.8(5) . . . . ?
N4 Os1 O4 C3 -158(6) . . . . ?
N3 Os1 O4 C3 177.6(5) . . . . ?
O9 Os1 O5 C4 -116.3(3) . . . . ?
O8 Os1 O5 C4 72.3(3) . . . . ?
O4 Os1 O5 C4 -22.1(3) . . . . ?
N4 Os1 O5 C4 156.7(3) . . . . ?
N3 Os1 O5 C4 126(3) . . . . ?
O9 Os1 N3 C12 92.1(6) . . . . ?
O8 Os1 N3 C12 -95.8(6) . . . . ?
O5 Os1 N3 C12 -150(3) . . . . ?
O4 Os1 N3 C12 -2.0(6) . . . . ?
N4 Os1 N3 C12 179.0(6) . . . . ?
O9 Os1 N3 C11 -91.6(5) . . . . ?
O8 Os1 N3 C11 80.4(5) . . . . ?
O5 Os1 N3 C11 26(3) . . . . ?
O4 Os1 N3 C11 174.2(5) . . . . ?
N4 Os1 N3 C11 -4.7(5) . . . . ?
O9 Os1 N4 C17 -88.7(6) . . . . ?
O8 Os1 N4 C17 98.9(7) . . . . ?
O5 Os1 N4 C17 6.6(7) . . . . ?
O4 Os1 N4 C17 159(6) . . . . ?
N3 Os1 N4 C17 -175.7(7) . . . . ?
O9 Os1 N4 C16 90.1(6) . . . . ?
O8 Os1 N4 C16 -82.3(6) . . . . ?
O5 Os1 N4 C16 -174.5(6) . . . . ?
O4 Os1 N4 C16 -22(7) . . . . ?
N3 Os1 N4 C16 3.2(6) . . . . ?
C5 N1 C1 O2 9.4(5) . . . . ?
C4 N1 C1 O2 170.8(3) . . . . ?
C5 N1 C1 N2 -170.1(3) . . . . ?
C4 N1 C1 N2 -8.7(5) . . . . ?
C2 N2 C1 O2 170.3(3) . . . . ?
C2 N2 C1 N1 -10.2(5) . . . . ?
C1 N2 C2 O3 179.6(3) . . . . ?
C1 N2 C2 C3 -3.9(5) . . . . ?
Os1 O4 C3 C2 -91.9(4) . . . . ?
Os1 O4 C3 C4 28.4(7) . . . . ?
Os1 O4 C3 C10 149.7(3) . . . . ?
O3 C2 C3 O4 -32.6(4) . . . . ?
N2 C2 C3 O4 151.0(3) . . . . ?
O3 C2 C3 C4 -150.2(3) . . . . ?
N2 C2 C3 C4 33.4(4) . . . . ?
O3 C2 C3 C10 86.3(4) . . . . ?
N2 C2 C3 C10 -90.1(3) . . . . ?
Os1 O5 C4 N1 165.7(2) . . . . ?
Os1 O5 C4 C3 43.7(4) . . . . ?
C1 N1 C4 O5 -82.3(4) . . . . ?
C5 N1 C4 O5 78.6(4) . . . . ?
C1 N1 C4 C3 38.4(5) . . . . ?
C5 N1 C4 C3 -160.7(4) . . . . ?
O4 C3 C4 O5 -47.1(6) . . . . ?
C2 C3 C4 O5 72.1(3) . . . . ?
C10 C3 C4 O5 -166.6(3) . . . . ?
O4 C3 C4 N1 -168.2(4) . . . . ?
C2 C3 C4 N1 -49.0(4) . . . . ?
C10 C3 C4 N1 72.3(5) . . . . ?
C8 O1 C5 N1 -144.3(3) . . . . ?
C8 O1 C5 C6 -21.0(3) . . . . ?
C1 N1 C5 O1 -158.6(3) . . . . ?
C4 N1 C5 O1 39.6(4) . . . . ?
C1 N1 C5 C6 83.7(4) . . . . ?
C4 N1 C5 C6 -78.0(4) . . . . ?
O1 C5 C6 C7 36.8(3) . . . . ?
N1 C5 C6 C7 155.9(3) . . . . ?
C5 C6 C7 O6 80.4(3) . . . . ?
C5 C6 C7 C8 -37.6(3) . . . . ?
C5 O1 C8 C7 -3.8(4) . . . . ?
C5 O1 C8 C9 121.9(4) . . . . ?
O6 C7 C8 O1 -87.8(4) . . . . ?
C6 C7 C8 O1 26.3(4) . . . . ?
O6 C7 C8 C9 150.1(4) . . . . ?
C6 C7 C8 C9 -95.8(5) . . . . ?
O1 C8 C9 O7 -70.6(5) . . . . ?
C7 C8 C9 O7 49.8(6) . . . . ?
C12 N3 C11 C15 2.0(11) . . . . ?
Os1 N3 C11 C15 -174.4(6) . . . . ?
C12 N3 C11 C16 -178.1(7) . . . . ?
Os1 N3 C11 C16 5.5(9) . . . . ?
C11 N3 C12 C13 -1.8(10) . . . . ?
Os1 N3 C12 C13 174.3(5) . . . . ?
N3 C12 C13 C14 1.7(10) . . . . ?
C12 C13 C14 C15 -1.8(10) . . . . ?
C13 C14 C15 C11 2.0(11) . . . . ?
N3 C11 C15 C14 -2.1(11) . . . . ?
C16 C11 C15 C14 178.0(7) . . . . ?
C17 N4 C16 C20 -0.5(13) . . . . ?
Os1 N4 C16 C20 -179.4(6) . . . . ?
C17 N4 C16 C11 177.6(7) . . . . ?
Os1 N4 C16 C11 -1.3(10) . . . . ?
N3 C11 C16 N4 -2.8(11) . . . . ?
C15 C11 C16 N4 177.1(7) . . . . ?
N3 C11 C16 C20 175.2(7) . . . . ?
C15 C11 C16 C20 -4.8(13) . . . . ?
C16 N4 C17 C18 0.4(12) . . . . ?
Os1 N4 C17 C18 179.2(6) . . . . ?
N4 C17 C18 C19 -0.2(12) . . . . ?
C17 C18 C19 C20 0.1(12) . . . . ?
N4 C16 C20 C19 0.4(12) . . . . ?
C11 C16 C20 C19 -177.6(8) . . . . ?
C18 C19 C20 C16 -0.2(12) . . . . ?
