# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H28 N8 O5 Os'
_chemical_formula_weight         782.81

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'

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'

_cell_length_a                   9.535(5)
_cell_length_b                   25.768(5)
_cell_length_c                   12.599(5)
_cell_angle_alpha                90.000
_cell_angle_beta                 93.582(5)
_cell_angle_gamma                90.000
_cell_volume                     3089(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    14070
_cell_measurement_theta_min      3.4260
_cell_measurement_theta_max      72.2250

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1544
_exptl_absorpt_coefficient_mu    8.248
_exptl_absorpt_correction_T_min  0.2528
_exptl_absorpt_correction_T_max  0.4136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Micro-Focus (Cu) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OXFORD DIFFRACTION SUPER NOVA'
_diffrn_measurement_method       ω/q-scan
_diffrn_detector_area_resol_mean 15.9948
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            22858
_diffrn_reflns_av_R_equivalents  0.0155
_diffrn_reflns_av_unetI/netI     0.0121
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.91
_diffrn_reflns_theta_max         72.43
_reflns_number_total             6058
_reflns_number_gt                5953
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0325P)²+5.5318P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6058
_refine_ls_number_parameters     415
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0198
_refine_ls_R_factor_gt           0.0194
_refine_ls_wR_factor_ref         0.0516
_refine_ls_wR_factor_gt          0.0512
_refine_ls_goodness_of_fit_ref   0.881
_refine_ls_restrained_S_all      0.884
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.270489(10) 0.142562(4) 0.047232(7) 0.02081(4) Uani 1 1 d . . .
O1 O 0.36887(17) 0.11735(7) 0.19345(13) 0.0269(3) Uani 1 1 d . . .
O2 O 0.33461(18) 0.09175(8) 0.35888(14) 0.0350(4) Uani 1 1 d . . .
N1 N 0.1032(2) 0.13444(7) 0.14167(16) 0.0224(4) Uani 1 1 d . . .
N2 N -0.0951(2) 0.12828(8) 0.22661(16) 0.0253(4) Uani 1 1 d . . .
N3 N -0.1369(2) 0.08999(8) 0.44036(16) 0.0257(4) Uani 1 1 d . . .
N4 N 0.0930(2) 0.07321(8) 0.46596(16) 0.0236(4) Uani 1 1 d . . .
N5 N 0.2742(2) 0.06743(8) -0.00415(15) 0.0243(4) Uani 1 1 d . . .
N6 N 0.4452(2) 0.14222(7) -0.03906(17) 0.0247(4) Uani 1 1 d . . .
N7 N 0.1580(2) 0.17275(8) -0.07943(16) 0.0239(4) Uani 1 1 d . . .
N8 N 0.2768(2) 0.22002(8) 0.08295(16) 0.0244(4) Uani 1 1 d . . .
C1 C 0.2876(2) 0.10687(9) 0.26965(19) 0.0261(5) Uani 1 1 d . . .
C2 C 0.1381(2) 0.11529(9) 0.24259(18) 0.0233(5) Uani 1 1 d . . .
C3 C -0.0349(3) 0.14168(9) 0.1369(2) 0.0245(5) Uani 1 1 d . . .
H3 H -0.0863 0.1551 0.0759 0.029 Uiso 1 1 calc R . .
C4 C 0.0125(2) 0.11145(9) 0.29347(18) 0.0223(4) Uani 1 1 d . . .
C5 C -0.0120(2) 0.09194(9) 0.39937(18) 0.0223(4) Uani 1 1 d . . .
C6 C 0.0335(2) 0.05690(9) 0.55734(18) 0.0233(5) Uani 1 1 d . . .
C7 C 0.0907(3) 0.03417(9) 0.6512(2) 0.0286(5) Uani 1 1 d . . .
H7 H 0.1885 0.0277 0.6628 0.034 Uiso 1 1 calc R . .
C8 C -0.0042(3) 0.02158(10) 0.72662(19) 0.0298(5) Uani 1 1 d . . .
H8 H 0.0295 0.0060 0.7917 0.036 Uiso 1 1 calc R . .
C9 C -0.1474(3) 0.03121(10) 0.7090(2) 0.0315(5) Uani 1 1 d . . .
H9 H -0.2087 0.0216 0.7623 0.038 Uiso 1 1 calc R . .
C10 C -0.2039(3) 0.05439(10) 0.6163(2) 0.0301(5) Uani 1 1 d . . .
H10 H -0.3018 0.0610 0.6054 0.036 Uiso 1 1 calc R . .
C11 C -0.1099(3) 0.06742(9) 0.54024(19) 0.0255(5) Uani 1 1 d . . .
C12 C 0.1917(3) 0.02839(9) 0.0282(2) 0.0289(5) Uani 1 1 d . . .
H12 H 0.1255 0.0358 0.0794 0.035 Uiso 1 1 calc R . .
C13 C 0.1999(3) -0.02148(10) -0.0101(2) 0.0346(6) Uani 1 1 d . . .
H13 H 0.1416 -0.0479 0.0156 0.042 Uiso 1 1 calc R . .
C14 C 0.2942(3) -0.03283(11) -0.0865(2) 0.0395(6) Uani 1 1 d . . .
H14 H 0.2996 -0.0668 -0.1153 0.047 Uiso 1 1 calc R . .
C15 C 0.3798(3) 0.00628(11) -0.1198(2) 0.0359(6) Uani 1 1 d . . .
H15 H 0.4450 -0.0006 -0.1720 0.043 Uiso 1 1 calc R . .
C16 C 0.3705(3) 0.05574(10) -0.07679(19) 0.0278(5) Uani 1 1 d . . .
C17 C 0.4635(3) 0.09866(10) -0.0995(2) 0.0281(5) Uani 1 1 d . . .
C18 C 0.5661(3) 0.09691(12) -0.1725(2) 0.0384(6) Uani 1 1 d . . .
H18 H 0.5741 0.0672 -0.2165 0.046 Uiso 1 1 calc R . .
C19 C 0.6568(3) 0.13811(12) -0.1813(3) 0.0441(7) Uani 1 1 d . . .
H19 H 0.7273 0.1373 -0.2314 0.053 Uiso 1 1 calc R . .
C20 C 0.6432(3) 0.18082(12) -0.1157(2) 0.0409(7) Uani 1 1 d . . .
H20 H 0.7072 0.2090 -0.1177 0.049 Uiso 1 1 calc R . .
C21 C 0.5359(3) 0.18194(10) -0.0477(2) 0.0325(6) Uani 1 1 d . . .
H21 H 0.5252 0.2119 -0.0050 0.039 Uiso 1 1 calc R . .
C22 C 0.0970(3) 0.14496(10) -0.1612(2) 0.0301(5) Uani 1 1 d . . .
H22 H 0.1113 0.1085 -0.1623 0.036 Uiso 1 1 calc R . .
C23 C 0.0154(3) 0.16737(11) -0.2428(2) 0.0348(6) Uani 1 1 d . . .
H23 H -0.0252 0.1466 -0.2989 0.042 Uiso 1 1 calc R . .
C24 C -0.0070(3) 0.22046(12) -0.2423(2) 0.0394(6) Uani 1 1 d . . .
H24 H -0.0642 0.2366 -0.2972 0.047 Uiso 1 1 calc R . .
C25 C 0.0558(3) 0.24928(11) -0.1605(2) 0.0382(6) Uani 1 1 d . . .
H25 H 0.0424 0.2858 -0.1591 0.046 Uiso 1 1 calc R . .
C26 C 0.1382(3) 0.22543(10) -0.0802(2) 0.0282(5) Uani 1 1 d . . .
C27 C 0.2106(3) 0.25215(10) 0.0097(2) 0.0288(5) Uani 1 1 d . . .
C28 C 0.2173(4) 0.30554(11) 0.0200(2) 0.0425(7) Uani 1 1 d . . .
H28 H 0.1713 0.3271 -0.0326 0.051 Uiso 1 1 calc R . .
C29 C 0.2906(4) 0.32751(11) 0.1064(3) 0.0445(7) Uani 1 1 d . . .
H29 H 0.2966 0.3641 0.1142 0.053 Uiso 1 1 calc R . .
C30 C 0.3552(3) 0.29481(11) 0.1814(2) 0.0378(6) Uani 1 1 d . . .
H30 H 0.4060 0.3089 0.2420 0.045 Uiso 1 1 calc R . .
C31 C 0.3460(3) 0.24174(10) 0.1683(2) 0.0307(5) Uani 1 1 d . . .
H31 H 0.3899 0.2198 0.2212 0.037 Uiso 1 1 calc R . .
O101 O 0.6328(2) 0.17004(9) 0.2333(2) 0.0486(5) Uani 1 1 d D . .
H111 H 0.7055 0.1485 0.2452 0.073(14) Uiso 1 1 d RD . .
H222 H 0.5800 0.1425 0.2112 0.15(3) Uiso 1 1 d RD . .
O102 O 0.6011(2) 0.04881(9) 0.3568(2) 0.0557(6) Uani 1 1 d D . .
O103 O 0.5791(2) -0.05238(9) 0.41936(18) 0.0508(5) Uani 1 1 d D . .
H333 H 0.5223 0.0680 0.3526 0.076 Uiso 1 1 d RD . .
H444 H 0.6825 0.0688 0.3666 0.076 Uiso 1 1 d RD . .
H666 H 0.5612 -0.0209 0.3890 0.076 Uiso 1 1 d RD . .
H555 H 0.5482 -0.0567 0.4842 0.076 Uiso 1 1 d RD . .
H4N H 0.181(3) 0.0708(9) 0.4489(18) 0.011(5) Uiso 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N7 2.022(2) . ?
Os1 N5 2.042(2) . ?
Os1 N6 2.046(2) . ?
Os1 N8 2.046(2) . ?
Os1 N1 2.059(2) . ?
Os1 O1 2.1166(18) . ?
O1 C1 1.299(3) . ?
O2 C1 1.246(3) . ?
N1 C3 1.328(3) . ?
N1 C2 1.385(3) . ?
N2 C3 1.344(3) . ?
N2 C4 1.357(3) . ?
N3 C5 1.328(3) . ?
N3 C11 1.396(3) . ?
N4 C5 1.354(3) . ?
N4 C6 1.380(3) . ?
N4 H4N 0.88(3) . ?
N5 C12 1.355(3) . ?
N5 C16 1.370(3) . ?
N6 C21 1.349(3) . ?
N6 C17 1.374(3) . ?
N7 C22 1.356(3) . ?
N7 C26 1.370(3) . ?
N8 C31 1.348(3) . ?
N8 C27 1.365(3) . ?
C1 C2 1.461(3) . ?
C2 C4 1.397(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.458(3) . ?
C6 C7 1.400(3) . ?
C6 C11 1.397(3) . ?
C7 C8 1.390(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.391(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.390(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.394(3) . ?
C10 H10 0.9500 . ?
C12 C13 1.376(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.389(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.378(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.390(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.457(4) . ?
C17 C18 1.385(4) . ?
C18 C19 1.378(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.388(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.375(4) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.377(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.376(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.461(4) . ?
C27 C28 1.383(4) . ?
C28 C29 1.378(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.382(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.379(4) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
O101 H111 0.8935 . ?
O101 H222 0.9038 . ?
O102 H333 0.8984 . ?
O102 H444 0.9328 . ?
O103 H666 0.9080 . ?
O103 H555 0.8925 . ?

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
N7 Os1 N5 97.66(8) . . ?
N7 Os1 N6 89.54(9) . . ?
N5 Os1 N6 78.27(8) . . ?
N7 Os1 N8 78.76(8) . . ?
N5 Os1 N8 173.49(8) . . ?
N6 Os1 N8 96.17(8) . . ?
N7 Os1 N1 95.92(8) . . ?
N5 Os1 N1 96.67(8) . . ?
N6 Os1 N1 173.04(8) . . ?
N8 Os1 N1 89.15(8) . . ?
N7 Os1 O1 171.66(7) . . ?
N5 Os1 O1 88.25(7) . . ?
N6 Os1 O1 97.46(8) . . ?
N8 Os1 O1 95.90(8) . . ?
N1 Os1 O1 77.47(8) . . ?
C1 O1 Os1 117.04(15) . . ?
C3 N1 C2 105.79(19) . . ?
C3 N1 Os1 139.61(17) . . ?
C2 N1 Os1 114.59(15) . . ?
C3 N2 C4 104.9(2) . . ?
C5 N3 C11 104.3(2) . . ?
C5 N4 C6 107.38(19) . . ?
C5 N4 H4N 123.6(15) . . ?
C6 N4 H4N 128.9(15) . . ?
C12 N5 C16 117.6(2) . . ?
C12 N5 Os1 125.92(17) . . ?
C16 N5 Os1 116.46(16) . . ?
C21 N6 C17 118.1(2) . . ?
C21 N6 Os1 125.94(17) . . ?
C17 N6 Os1 115.70(16) . . ?
C22 N7 C26 117.8(2) . . ?
C22 N7 Os1 125.30(17) . . ?
C26 N7 Os1 116.90(17) . . ?
C31 N8 C27 118.1(2) . . ?
C31 N8 Os1 125.92(17) . . ?
C27 N8 Os1 115.92(17) . . ?
O2 C1 O1 122.3(2) . . ?
O2 C1 C2 123.2(2) . . ?
O1 C1 C2 114.5(2) . . ?
N1 C2 C4 106.4(2) . . ?
N1 C2 C1 116.2(2) . . ?
C4 C2 C1 137.3(2) . . ?
N1 C3 N2 113.6(2) . . ?
N1 C3 H3 123.2 . . ?
N2 C3 H3 123.2 . . ?
N2 C4 C2 109.2(2) . . ?
N2 C4 C5 121.3(2) . . ?
C2 C4 C5 129.4(2) . . ?
N3 C5 N4 113.1(2) . . ?
N3 C5 C4 124.6(2) . . ?
N4 C5 C4 122.3(2) . . ?
N4 C6 C7 132.4(2) . . ?
N4 C6 C11 105.1(2) . . ?
C7 C6 C11 122.5(2) . . ?
C8 C7 C6 116.1(2) . . ?
C8 C7 H7 122.0 . . ?
C6 C7 H7 122.0 . . ?
C7 C8 C9 121.5(2) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C8 C9 C10 122.4(2) . . ?
C8 C9 H9 118.8 . . ?
C10 C9 H9 118.8 . . ?
C9 C10 C11 116.6(2) . . ?
C9 C10 H10 121.7 . . ?
C11 C10 H10 121.7 . . ?
N3 C11 C10 129.0(2) . . ?
N3 C11 C6 110.1(2) . . ?
C10 C11 C6 120.8(2) . . ?
N5 C12 C13 122.8(2) . . ?
N5 C12 H12 118.6 . . ?
C13 C12 H12 118.6 . . ?
C12 C13 C14 119.5(3) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C15 C14 C13 118.5(3) . . ?
C15 C14 H14 120.7 . . ?
C13 C14 H14 120.7 . . ?
C14 C15 C16 119.9(3) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
N5 C16 C15 121.6(2) . . ?
N5 C16 C17 114.0(2) . . ?
C15 C16 C17 124.4(2) . . ?
N6 C17 C18 120.9(2) . . ?
N6 C17 C16 114.3(2) . . ?
C18 C17 C16 124.7(2) . . ?
C19 C18 C17 120.1(3) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C20 118.7(3) . . ?
C18 C19 H19 120.7 . . ?
C20 C19 H19 120.7 . . ?
C21 C20 C19 119.3(3) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
N6 C21 C20 122.7(3) . . ?
N6 C21 H21 118.7 . . ?
C20 C21 H21 118.7 . . ?
N7 C22 C23 122.8(2) . . ?
N7 C22 H22 118.6 . . ?
C23 C22 H22 118.6 . . ?
C22 C23 C24 119.4(3) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C25 C24 C23 118.4(3) . . ?
C25 C24 H24 120.8 . . ?
C23 C24 H24 120.8 . . ?
C24 C25 C26 120.5(3) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
N7 C26 C25 121.0(2) . . ?
N7 C26 C27 113.8(2) . . ?
C25 C26 C27 125.2(2) . . ?
N8 C27 C28 121.6(3) . . ?
N8 C27 C26 114.5(2) . . ?
C28 C27 C26 123.9(2) . . ?
C29 C28 C27 120.1(3) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 118.2(3) . . ?
C28 C29 H29 120.9 . . ?
C30 C29 H29 120.9 . . ?
C31 C30 C29 120.1(3) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
N8 C31 C30 122.1(3) . . ?
N8 C31 H31 119.0 . . ?
C30 C31 H31 119.0 . . ?
H111 O101 H222 88.6 . . ?
H333 O102 H444 113.0 . . ?
H666 O103 H555 115.7 . . ?

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
N7 Os1 O1 C1 40.5(6) . . . . ?
N5 Os1 O1 C1 -94.77(17) . . . . ?
N6 Os1 O1 C1 -172.70(17) . . . . ?
N8 Os1 O1 C1 90.26(17) . . . . ?
N1 Os1 O1 C1 2.46(17) . . . . ?
N7 Os1 N1 C3 2.5(3) . . . . ?
N5 Os1 N1 C3 -96.0(3) . . . . ?
N6 Os1 N1 C3 -139.0(6) . . . . ?
N8 Os1 N1 C3 81.1(3) . . . . ?
O1 Os1 N1 C3 177.3(3) . . . . ?
N7 Os1 N1 C2 -178.09(16) . . . . ?
N5 Os1 N1 C2 83.45(17) . . . . ?
N6 Os1 N1 C2 40.5(7) . . . . ?
N8 Os1 N1 C2 -99.48(17) . . . . ?
O1 Os1 N1 C2 -3.25(15) . . . . ?
N7 Os1 N5 C12 -101.2(2) . . . . ?
N6 Os1 N5 C12 170.9(2) . . . . ?
N8 Os1 N5 C12 -157.4(6) . . . . ?
N1 Os1 N5 C12 -4.2(2) . . . . ?
O1 Os1 N5 C12 72.9(2) . . . . ?
N7 Os1 N5 C16 79.79(18) . . . . ?
N6 Os1 N5 C16 -8.13(17) . . . . ?
N8 Os1 N5 C16 23.6(8) . . . . ?
N1 Os1 N5 C16 176.71(17) . . . . ?
O1 Os1 N5 C16 -106.12(17) . . . . ?
N7 Os1 N6 C21 87.2(2) . . . . ?
N5 Os1 N6 C21 -174.9(2) . . . . ?
N8 Os1 N6 C21 8.6(2) . . . . ?
N1 Os1 N6 C21 -131.1(6) . . . . ?
O1 Os1 N6 C21 -88.2(2) . . . . ?
N7 Os1 N6 C17 -87.42(18) . . . . ?
N5 Os1 N6 C17 10.51(17) . . . . ?
N8 Os1 N6 C17 -166.06(18) . . . . ?
N1 Os1 N6 C17 54.3(7) . . . . ?
O1 Os1 N6 C17 97.14(18) . . . . ?
N5 Os1 N7 C22 6.5(2) . . . . ?
N6 Os1 N7 C22 84.6(2) . . . . ?
N8 Os1 N7 C22 -179.0(2) . . . . ?
N1 Os1 N7 C22 -91.1(2) . . . . ?
O1 Os1 N7 C22 -128.3(5) . . . . ?
N5 Os1 N7 C26 -175.88(17) . . . . ?
N6 Os1 N7 C26 -97.77(17) . . . . ?
N8 Os1 N7 C26 -1.39(17) . . . . ?
N1 Os1 N7 C26 86.56(17) . . . . ?
O1 Os1 N7 C26 49.3(6) . . . . ?
N7 Os1 N8 C31 -177.4(2) . . . . ?
N5 Os1 N8 C31 -120.3(7) . . . . ?
N6 Os1 N8 C31 -89.1(2) . . . . ?
N1 Os1 N8 C31 86.4(2) . . . . ?
O1 Os1 N8 C31 9.0(2) . . . . ?
N7 Os1 N8 C27 -1.26(17) . . . . ?
N5 Os1 N8 C27 55.8(7) . . . . ?
N6 Os1 N8 C27 87.03(18) . . . . ?
N1 Os1 N8 C27 -97.47(18) . . . . ?
O1 Os1 N8 C27 -174.78(17) . . . . ?
Os1 O1 C1 O2 -179.99(19) . . . . ?
Os1 O1 C1 C2 -1.2(3) . . . . ?
C3 N1 C2 C4 0.9(2) . . . . ?
Os1 N1 C2 C4 -178.76(15) . . . . ?
C3 N1 C2 C1 -176.6(2) . . . . ?
Os1 N1 C2 C1 3.8(3) . . . . ?
O2 C1 C2 N1 177.1(2) . . . . ?
O1 C1 C2 N1 -1.7(3) . . . . ?
O2 C1 C2 C4 0.7(5) . . . . ?
O1 C1 C2 C4 -178.1(3) . . . . ?
C2 N1 C3 N2 -0.7(3) . . . . ?
Os1 N1 C3 N2 178.78(18) . . . . ?
C4 N2 C3 N1 0.2(3) . . . . ?
C3 N2 C4 C2 0.4(3) . . . . ?
C3 N2 C4 C5 -178.2(2) . . . . ?
N1 C2 C4 N2 -0.8(3) . . . . ?
C1 C2 C4 N2 175.9(3) . . . . ?
N1 C2 C4 C5 177.7(2) . . . . ?
C1 C2 C4 C5 -5.7(5) . . . . ?
C11 N3 C5 N4 -1.1(3) . . . . ?
C11 N3 C5 C4 178.3(2) . . . . ?
C6 N4 C5 N3 0.9(3) . . . . ?
C6 N4 C5 C4 -178.4(2) . . . . ?
N2 C4 C5 N3 -1.7(4) . . . . ?
C2 C4 C5 N3 -180.0(2) . . . . ?
N2 C4 C5 N4 177.6(2) . . . . ?
C2 C4 C5 N4 -0.7(4) . . . . ?
C5 N4 C6 C7 179.3(2) . . . . ?
C5 N4 C6 C11 -0.3(2) . . . . ?
N4 C6 C7 C8 -178.5(2) . . . . ?
C11 C6 C7 C8 1.2(3) . . . . ?
C6 C7 C8 C9 -0.1(4) . . . . ?
C7 C8 C9 C10 -0.8(4) . . . . ?
C8 C9 C10 C11 0.5(4) . . . . ?
C5 N3 C11 C10 -177.5(3) . . . . ?
C5 N3 C11 C6 0.8(3) . . . . ?
C9 C10 C11 N3 178.8(2) . . . . ?
C9 C10 C11 C6 0.6(4) . . . . ?
N4 C6 C11 N3 -0.3(3) . . . . ?
C7 C6 C11 N3 180.0(2) . . . . ?
N4 C6 C11 C10 178.2(2) . . . . ?
C7 C6 C11 C10 -1.5(4) . . . . ?
C16 N5 C12 C13 -1.0(4) . . . . ?
Os1 N5 C12 C13 179.95(19) . . . . ?
N5 C12 C13 C14 -1.2(4) . . . . ?
C12 C13 C14 C15 1.7(4) . . . . ?
C13 C14 C15 C16 0.0(4) . . . . ?
C12 N5 C16 C15 2.8(4) . . . . ?
Os1 N5 C16 C15 -178.1(2) . . . . ?
C12 N5 C16 C17 -174.5(2) . . . . ?
Os1 N5 C16 C17 4.6(3) . . . . ?
C14 C15 C16 N5 -2.4(4) . . . . ?
C14 C15 C16 C17 174.7(3) . . . . ?
C21 N6 C17 C18 -4.2(4) . . . . ?
Os1 N6 C17 C18 170.8(2) . . . . ?
C21 N6 C17 C16 173.7(2) . . . . ?
Os1 N6 C17 C16 -11.2(3) . . . . ?
N5 C16 C17 N6 4.3(3) . . . . ?
C15 C16 C17 N6 -172.9(2) . . . . ?
N5 C16 C17 C18 -177.8(2) . . . . ?
C15 C16 C17 C18 4.9(4) . . . . ?
N6 C17 C18 C19 3.5(4) . . . . ?
C16 C17 C18 C19 -174.3(3) . . . . ?
C17 C18 C19 C20 0.3(5) . . . . ?
C18 C19 C20 C21 -3.1(5) . . . . ?
C17 N6 C21 C20 1.3(4) . . . . ?
Os1 N6 C21 C20 -173.2(2) . . . . ?
C19 C20 C21 N6 2.4(5) . . . . ?
C26 N7 C22 C23 -1.1(4) . . . . ?
Os1 N7 C22 C23 176.55(19) . . . . ?
N7 C22 C23 C24 -0.2(4) . . . . ?
C22 C23 C24 C25 1.1(4) . . . . ?
C23 C24 C25 C26 -0.6(4) . . . . ?
C22 N7 C26 C25 1.6(4) . . . . ?
Os1 N7 C26 C25 -176.3(2) . . . . ?
C22 N7 C26 C27 -178.6(2) . . . . ?
Os1 N7 C26 C27 3.6(3) . . . . ?
C24 C25 C26 N7 -0.8(4) . . . . ?
C24 C25 C26 C27 179.4(3) . . . . ?
C31 N8 C27 C28 2.0(4) . . . . ?
Os1 N8 C27 C28 -174.4(2) . . . . ?
C31 N8 C27 C26 180.0(2) . . . . ?
Os1 N8 C27 C26 3.5(3) . . . . ?
N7 C26 C27 N8 -4.6(3) . . . . ?
C25 C26 C27 N8 175.3(2) . . . . ?
N7 C26 C27 C28 173.3(3) . . . . ?
C25 C26 C27 C28 -6.8(4) . . . . ?
N8 C27 C28 C29 -0.8(5) . . . . ?
C26 C27 C28 C29 -178.6(3) . . . . ?
C27 C28 C29 C30 -0.4(5) . . . . ?
C28 C29 C30 C31 0.4(5) . . . . ?
C27 N8 C31 C30 -2.1(4) . . . . ?
Os1 N8 C31 C30 174.0(2) . . . . ?
C29 C30 C31 N8 0.9(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        72.43
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.711
_refine_diff_density_min         -0.973
_refine_diff_density_rms         0.065
_database_code_depnum_ccdc_archive 'CCDC 1008800'
