# Copyright The Royal Society of Chemistry, 1999
# CCDC Number: 186/1517
 
data_os3mepy 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C19 H9 N O11 Os3' 
_chemical_formula_weight          997.87 
 
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' 
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    C2 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y, -z' 
 'x+1/2, y+1/2, z' 
 '-x+1/2, y+1/2, -z' 
 
_cell_length_a                    21.9372(11) 
_cell_length_b                    11.7406(8) 
_cell_length_c                    9.1656(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  93.680(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      2355.8(8) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     100(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        needle 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.20 
_exptl_crystal_size_mid           0.08 
_exptl_crystal_size_min           0.06 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     2.814 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1784 
_exptl_absorpt_coefficient_mu     16.199 
_exptl_absorpt_correction_type    Scalepack 
_exptl_absorpt_correction_T_min   0.1400 
_exptl_absorpt_correction_T_max   0.4432 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       100(2) 
_diffrn_radiation_wavelength      0.71070 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   KappaCCD 
_diffrn_measurement_method        '2o phi prames + omega to complete' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         0 
_diffrn_reflns_number             14598
_diffrn_reflns_av_R_equivalents   0.0600 
_diffrn_reflns_av_sigmaI/netI     0.0606 
_diffrn_reflns_limit_h_min        -28 
_diffrn_reflns_limit_h_max        28 
_diffrn_reflns_limit_k_min        -15 
_diffrn_reflns_limit_k_max        14 
_diffrn_reflns_limit_l_min        -11 
_diffrn_reflns_limit_l_max        11 
_diffrn_reflns_theta_min          2.23 
_diffrn_reflns_theta_max          27.49 
_reflns_number_total              5017 
_reflns_number_gt                 4856 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Nonius Collect' 
_computing_cell_refinement        DENZO-SMN 
_computing_data_reduction         DENZO-SMN 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Xseed (Barbour, 1999)' 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0350P)^2^+48.9326P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00037(6) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -0.002(19) 
_refine_ls_number_reflns          5017 
_refine_ls_number_parameters      308 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0414 
_refine_ls_R_factor_gt            0.0377 
_refine_ls_wR_factor_ref          0.0859 
_refine_ls_wR_factor_gt           0.0847 
_refine_ls_goodness_of_fit_ref    1.047 
_refine_ls_restrained_S_all       1.047 
_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 0.328098(17) 0.56212(4) 0.56655(4) 0.01134(11) Uani 1 1 d . . . 
Os2 Os 0.291602(17) 0.43821(4) 0.82105(4) 0.01224(12) Uani 1 1 d . . . 
Os3 Os 0.391656(18) 0.59838(4) 0.84595(5) 0.01311(12) Uani 1 1 d . . . 
O4 O 0.2114(5) 0.6051(11) 0.9849(10) 0.037(3) Uani 1 1 d . . . 
O10 O 0.4778(4) 0.4002(9) 0.7779(11) 0.027(2) Uani 1 1 d . . . 
O1 O 0.2631(4) 0.5116(8) 0.2670(9) 0.025(2) Uani 1 1 d . . . 
O2 O 0.4398(4) 0.6765(9) 0.4474(10) 0.029(2) Uani 1 1 d . . . 
O5 O 0.1871(4) 0.2699(8) 0.7735(10) 0.0235(19) Uani 1 1 d . . . 
C1 C 0.2872(5) 0.5262(11) 0.3792(13) 0.019(2) Uani 1 1 d . . . 
C10 C 0.4445(5) 0.4707(12) 0.8007(12) 0.019(3) Uani 1 1 d . . . 
N1 N 0.3632(4) 0.3913(9) 0.5710(10) 0.0139(18) Uani 1 1 d . . . 
C4 C 0.2411(5) 0.5458(12) 0.9255(13) 0.021(3) Uani 1 1 d . . . 
C5 C 0.2257(6) 0.3317(12) 0.7867(12) 0.020(3) Uani 1 1 d . . . 
C2 C 0.3984(5) 0.6317(11) 0.4945(12) 0.017(2) Uani 1 1 d . . . 
O11 O 0.4719(4) 0.0246(8) 0.6308(10) 0.023(2) Uani 1 1 d . . . 
H11 H 0.4820 0.0137 0.7196 0.028 Uiso 1 1 calc R . . 
O6 O 0.3477(4) 0.3279(8) 1.0987(9) 0.025(2) Uani 1 1 d . . . 
O9 O 0.4115(4) 0.5593(10) 1.1754(9) 0.028(2) Uani 1 1 d . . . 
O3 O 0.2605(4) 0.7884(8) 0.5696(10) 0.024(2) Uani 1 1 d . . . 
O7 O 0.3007(4) 0.7944(9) 0.8832(9) 0.026(2) Uani 1 1 d . . . 
C14 C 0.4115(5) 0.2270(12) 0.4801(13) 0.018(2) Uani 1 1 d . . . 
H14 H 0.4338 0.1908 0.4075 0.022 Uiso 1 1 calc R . . 
O8 O 0.4907(4) 0.7759(9) 0.7985(10) 0.028(2) Uani 1 1 d . . . 
C12 C 0.3587(5) 0.2211(12) 0.7026(12) 0.018(2) Uani 1 1 d . . . 
H12 H 0.3455 0.1798 0.7839 0.022 Uiso 1 1 calc R . . 
C3 C 0.2868(5) 0.7044(11) 0.5708(11) 0.015(2) Uani 1 1 d . . . 
C16 C 0.4076(5) 0.0399(12) 0.6125(16) 0.025(3) Uani 1 1 d . . . 
H16 H 0.3896 0.0107 0.7027 0.030 Uiso 1 1 calc R . . 
C8 C 0.4544(5) 0.7086(11) 0.8131(12) 0.016(2) Uani 1 1 d . . . 
C7 C 0.3330(5) 0.7199(11) 0.8700(11) 0.016(2) Uani 1 1 d . . . 
C13 C 0.3929(5) 0.1664(11) 0.5999(13) 0.017(2) Uani 1 1 d . . . 
C9 C 0.4059(5) 0.5756(11) 1.0510(14) 0.018(2) Uani 1 1 d . . . 
C15 C 0.3968(5) 0.3415(12) 0.4697(14) 0.020(3) Uani 1 1 d . . . 
H15 H 0.4104 0.3855 0.3911 0.024 Uiso 1 1 calc R . . 
C11 C 0.3441(5) 0.3350(11) 0.6864(12) 0.015(2) Uani 1 1 d . . . 
C17 C 0.3825(6) -0.0311(15) 0.486(2) 0.043(4) Uani 1 1 d . . . 
H17A H 0.4054 -0.0152 0.4001 0.064 Uiso 1 1 calc R . . 
H17B H 0.3394 -0.0124 0.4646 0.064 Uiso 1 1 calc R . . 
H17C H 0.3864 -0.1120 0.5114 0.064 Uiso 1 1 calc R . . 
C6 C 0.3263(6) 0.3680(10) 0.9954(14) 0.019(3) Uani 1 1 d . . . 
C1S C 0.4198(10) -0.020(3) 1.014(2) 0.012(4) Uiso 0.50 1 d P A 1 
C4S C 0.4780(14) 0.141(3) 1.038(3) 0.022(5) Uiso 0.50 1 d P . 2 
H1 H 0.2747 0.5701 0.6940 0.027 Uiso 1 1 d R . . 
C3S C 0.4319(10) 0.021(2) 1.021(2) 0.010(4) Uiso 0.50 1 d P B 2 
C2S C 0.4564(13) 0.120(3) 1.052(3) 0.022(6) Uiso 0.50 1 d P A 1 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Os1 0.01028(18) 0.0128(2) 0.01088(19) 0.00026(16) 0.00002(14) 0.00042(15) 
Os2 0.01065(19) 0.0149(2) 0.0112(2) 0.00031(16) 0.00125(14) 0.00072(16) 
Os3 0.01095(19) 0.0151(2) 0.0130(2) -0.00192(16) -0.00141(15) 0.00133(16) 
O4 0.044(5) 0.046(7) 0.022(5) 0.001(5) 0.004(4) 0.028(6) 
O10 0.015(4) 0.019(5) 0.046(6) -0.012(4) 0.004(4) 0.006(4) 
O1 0.039(5) 0.022(5) 0.013(4) 0.005(3) -0.011(4) 0.000(4) 
O2 0.026(4) 0.040(6) 0.020(4) 0.003(4) 0.002(4) -0.016(4) 
O5 0.020(4) 0.025(5) 0.026(5) -0.001(4) 0.002(4) -0.011(4) 
C1 0.021(5) 0.012(6) 0.022(6) 0.003(4) -0.002(5) 0.002(5) 
C10 0.024(6) 0.024(7) 0.007(5) 0.000(4) -0.010(4) -0.008(5) 
N1 0.007(4) 0.015(5) 0.020(5) -0.008(4) 0.004(3) -0.003(4) 
C4 0.019(5) 0.024(7) 0.019(5) -0.003(5) 0.004(5) 0.006(5) 
C5 0.028(6) 0.024(7) 0.009(5) 0.001(5) 0.005(5) 0.004(6) 
C2 0.021(5) 0.023(7) 0.006(5) -0.007(4) 0.000(4) 0.002(5) 
O11 0.021(4) 0.022(5) 0.026(5) 0.001(4) -0.003(4) 0.010(4) 
O6 0.033(5) 0.022(5) 0.017(4) 0.008(4) -0.006(4) 0.005(4) 
O9 0.030(4) 0.039(6) 0.015(4) 0.006(4) -0.004(3) -0.001(5) 
O3 0.035(5) 0.014(5) 0.024(5) -0.007(4) -0.002(4) 0.012(4) 
O7 0.030(5) 0.034(6) 0.013(4) -0.008(4) 0.001(4) 0.014(4) 
C14 0.014(5) 0.021(6) 0.019(5) -0.008(5) 0.004(4) 0.000(5) 
O8 0.033(5) 0.028(6) 0.025(5) -0.002(4) 0.006(4) -0.005(4) 
C12 0.012(5) 0.026(7) 0.017(5) 0.003(5) 0.000(4) -0.001(5) 
C3 0.016(5) 0.023(7) 0.004(4) 0.003(4) 0.000(4) 0.002(5) 
C16 0.015(5) 0.024(8) 0.038(7) 0.001(6) 0.006(5) -0.001(5) 
C8 0.023(6) 0.015(6) 0.013(5) 0.000(4) 0.006(4) -0.002(5) 
C7 0.018(5) 0.017(6) 0.011(5) -0.007(4) -0.005(4) 0.009(5) 
C13 0.013(5) 0.020(6) 0.015(5) -0.001(4) -0.006(4) 0.008(5) 
C9 0.010(4) 0.014(6) 0.032(6) -0.003(5) 0.008(4) 0.001(4) 
C15 0.012(5) 0.025(7) 0.025(6) 0.007(5) 0.007(5) 0.002(5) 
C11 0.015(5) 0.020(6) 0.009(5) 0.001(4) 0.000(4) -0.001(4) 
C17 0.021(6) 0.023(8) 0.084(13) -0.016(8) -0.006(7) 0.005(6) 
C6 0.024(6) 0.007(6) 0.027(6) -0.004(5) 0.015(5) -0.006(4) 
 
_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 C2 1.901(12) . ? 
Os1 C3 1.902(12) . ? 
Os1 C1 1.932(12) . ? 
Os1 N1 2.147(11) . ? 
Os1 Os3 2.8680(10) . ? 
Os1 Os2 2.9049(8) . ? 
Os2 C6 1.913(14) . ? 
Os2 C5 1.921(14) . ? 
Os2 C4 1.968(12) . ? 
Os2 C11 2.122(11) . ? 
Os2 Os3 2.8882(7) . ? 
Os3 C9 1.904(13) . ? 
Os3 C8 1.927(12) . ? 
Os3 C7 1.944(11) . ? 
Os3 C10 1.955(14) . ? 
O4 C4 1.118(15) . ? 
O10 C10 1.133(16) . ? 
O1 C1 1.140(15) . ? 
O2 C2 1.156(15) . ? 
O5 C5 1.116(16) . ? 
N1 C11 1.337(15) . ? 
N1 C15 1.355(15) . ? 
O11 C16 1.419(14) . ? 
O6 C6 1.131(16) . ? 
O9 C9 1.155(15) . ? 
O3 C3 1.142(15) . ? 
O7 C7 1.137(15) . ? 
C14 C15 1.385(19) . ? 
C14 C13 1.392(17) . ? 
O8 C8 1.137(15) . ? 
C12 C11 1.380(19) . ? 
C12 C13 1.396(16) . ? 
C16 C17 1.50(2) . ? 
C16 C13 1.523(18) . ? 
C1S C2S 1.85(4) . ? 
C4S C4S 1.23(6) 2_657 ? 
C4S C3S 1.73(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 
C2 Os1 C3 91.6(5) . . ? 
C2 Os1 C1 97.2(5) . . ? 
C3 Os1 C1 90.9(5) . . ? 
C2 Os1 N1 96.3(4) . . ? 
C3 Os1 N1 172.1(4) . . ? 
C1 Os1 N1 87.6(4) . . ? 
C2 Os1 Os3 83.5(3) . . ? 
C3 Os1 Os3 93.2(3) . . ? 
C1 Os1 Os3 175.8(4) . . ? 
N1 Os1 Os3 88.2(2) . . ? 
C2 Os1 Os2 140.0(3) . . ? 
C3 Os1 Os2 105.5(3) . . ? 
C1 Os1 Os2 117.9(4) . . ? 
N1 Os1 Os2 68.5(2) . . ? 
Os3 Os1 Os2 60.036(18) . . ? 
C6 Os2 C5 96.4(5) . . ? 
C6 Os2 C4 94.4(5) . . ? 
C5 Os2 C4 93.2(5) . . ? 
C6 Os2 C11 92.2(5) . . ? 
C5 Os2 C11 87.9(5) . . ? 
C4 Os2 C11 173.2(5) . . ? 
C6 Os2 Os3 87.4(3) . . ? 
C5 Os2 Os3 175.1(3) . . ? 
C4 Os2 Os3 89.6(4) . . ? 
C11 Os2 Os3 88.8(3) . . ? 
C6 Os2 Os1 140.5(3) . . ? 
C5 Os2 Os1 115.9(3) . . ? 
C4 Os2 Os1 105.2(4) . . ? 
C11 Os2 Os1 68.3(3) . . ? 
Os3 Os2 Os1 59.35(2) . . ? 
C9 Os3 C8 100.1(5) . . ? 
C9 Os3 C7 93.4(5) . . ? 
C8 Os3 C7 90.5(5) . . ? 
C9 Os3 C10 92.3(5) . . ? 
C8 Os3 C10 92.5(5) . . ? 
C7 Os3 C10 173.0(4) . . ? 
C9 Os3 Os1 154.2(3) . . ? 
C8 Os3 Os1 105.7(3) . . ? 
C7 Os3 Os1 85.6(3) . . ? 
C10 Os3 Os1 87.6(3) . . ? 
C9 Os3 Os2 93.6(3) . . ? 
C8 Os3 Os2 166.3(3) . . ? 
C7 Os3 Os2 88.9(4) . . ? 
C10 Os3 Os2 86.7(4) . . ? 
Os1 Os3 Os2 60.62(2) . . ? 
O1 C1 Os1 176.0(11) . . ? 
O10 C10 Os3 176.1(10) . . ? 
C11 N1 C15 122.7(11) . . ? 
C11 N1 Os1 110.3(7) . . ? 
C15 N1 Os1 126.9(8) . . ? 
O4 C4 Os2 178.5(13) . . ? 
O5 C5 Os2 176.8(10) . . ? 
O2 C2 Os1 177.5(11) . . ? 
C15 C14 C13 118.1(11) . . ? 
C11 C12 C13 120.3(11) . . ? 
O3 C3 Os1 177.5(10) . . ? 
O11 C16 C17 109.5(11) . . ? 
O11 C16 C13 109.7(10) . . ? 
C17 C16 C13 114.6(12) . . ? 
O8 C8 Os3 177.3(10) . . ? 
O7 C7 Os3 176.9(11) . . ? 
C14 C13 C12 119.6(12) . . ? 
C14 C13 C16 119.1(11) . . ? 
C12 C13 C16 121.3(12) . . ? 
O9 C9 Os3 176.3(10) . . ? 
N1 C15 C14 120.4(11) . . ? 
N1 C11 C12 118.8(10) . . ? 
N1 C11 Os2 112.7(8) . . ? 
C12 C11 Os2 128.4(8) . . ? 
O6 C6 Os2 178.7(11) . . ? 
C4S C4S C3S 115.0(17) 2_657 . ? 
 
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 
C2 Os1 Os2 C6 -9.5(8) . . . . ? 
C3 Os1 Os2 C6 -121.5(6) . . . . ? 
C1 Os1 Os2 C6 139.0(7) . . . . ? 
N1 Os1 Os2 C6 64.0(6) . . . . ? 
Os3 Os1 Os2 C6 -36.8(5) . . . . ? 
C2 Os1 Os2 C5 -151.1(7) . . . . ? 
C3 Os1 Os2 C5 96.9(6) . . . . ? 
C1 Os1 Os2 C5 -2.6(6) . . . . ? 
N1 Os1 Os2 C5 -77.6(5) . . . . ? 
Os3 Os1 Os2 C5 -178.4(4) . . . . ? 
C2 Os1 Os2 C4 107.5(7) . . . . ? 
C3 Os1 Os2 C4 -4.5(5) . . . . ? 
C1 Os1 Os2 C4 -104.0(6) . . . . ? 
N1 Os1 Os2 C4 -179.0(5) . . . . ? 
Os3 Os1 Os2 C4 80.2(4) . . . . ? 
C2 Os1 Os2 C11 -74.8(7) . . . . ? 
C3 Os1 Os2 C11 173.2(5) . . . . ? 
C1 Os1 Os2 C11 73.7(5) . . . . ? 
N1 Os1 Os2 C11 -1.3(4) . . . . ? 
Os3 Os1 Os2 C11 -102.1(3) . . . . ? 
C2 Os1 Os2 Os3 27.3(6) . . . . ? 
C3 Os1 Os2 Os3 -84.7(4) . . . . ? 
C1 Os1 Os2 Os3 175.8(4) . . . . ? 
N1 Os1 Os2 Os3 100.8(3) . . . . ? 
C2 Os1 Os3 C9 -165.4(9) . . . . ? 
C3 Os1 Os3 C9 103.4(9) . . . . ? 
C1 Os1 Os3 C9 -65(5) . . . . ? 
N1 Os1 Os3 C9 -68.8(8) . . . . ? 
Os2 Os1 Os3 C9 -2.7(8) . . . . ? 
C2 Os1 Os3 C8 16.7(5) . . . . ? 
C3 Os1 Os3 C8 -74.5(5) . . . . ? 
C1 Os1 Os3 C8 117(5) . . . . ? 
N1 Os1 Os3 C8 113.3(4) . . . . ? 
Os2 Os1 Os3 C8 179.4(4) . . . . ? 
C2 Os1 Os3 C7 106.0(5) . . . . ? 
C3 Os1 Os3 C7 14.8(5) . . . . ? 
C1 Os1 Os3 C7 -153(5) . . . . ? 
N1 Os1 Os3 C7 -157.4(4) . . . . ? 
Os2 Os1 Os3 C7 -91.3(4) . . . . ? 
C2 Os1 Os3 C10 -75.2(5) . . . . ? 
C3 Os1 Os3 C10 -166.4(5) . . . . ? 
C1 Os1 Os3 C10 25(5) . . . . ? 
N1 Os1 Os3 C10 21.4(4) . . . . ? 
Os2 Os1 Os3 C10 87.5(4) . . . . ? 
C2 Os1 Os3 Os2 -162.7(4) . . . . ? 
C3 Os1 Os3 Os2 106.0(3) . . . . ? 
C1 Os1 Os3 Os2 -62(5) . . . . ? 
N1 Os1 Os3 Os2 -66.1(2) . . . . ? 
C6 Os2 Os3 C9 -23.6(5) . . . . ? 
C5 Os2 Os3 C9 -164(5) . . . . ? 
C4 Os2 Os3 C9 70.8(5) . . . . ? 
C11 Os2 Os3 C9 -115.8(5) . . . . ? 
Os1 Os2 Os3 C9 178.8(3) . . . . ? 
C6 Os2 Os3 C8 155.2(16) . . . . ? 
C5 Os2 Os3 C8 15(5) . . . . ? 
C4 Os2 Os3 C8 -110.3(16) . . . . ? 
C11 Os2 Os3 C8 63.0(16) . . . . ? 
Os1 Os2 Os3 C8 -2.3(15) . . . . ? 
C6 Os2 Os3 C7 -116.9(5) . . . . ? 
C5 Os2 Os3 C7 102(5) . . . . ? 
C4 Os2 Os3 C7 -22.5(5) . . . . ? 
C11 Os2 Os3 C7 150.9(4) . . . . ? 
Os1 Os2 Os3 C7 85.5(3) . . . . ? 
C6 Os2 Os3 C10 68.5(5) . . . . ? 
C5 Os2 Os3 C10 -72(5) . . . . ? 
C4 Os2 Os3 C10 162.9(5) . . . . ? 
C11 Os2 Os3 C10 -23.7(4) . . . . ? 
Os1 Os2 Os3 C10 -89.1(3) . . . . ? 
C6 Os2 Os3 Os1 157.6(3) . . . . ? 
C5 Os2 Os3 Os1 17(5) . . . . ? 
C4 Os2 Os3 Os1 -108.0(4) . . . . ? 
C11 Os2 Os3 Os1 65.4(3) . . . . ? 
C2 Os1 C1 O1 -61(15) . . . . ? 
C3 Os1 C1 O1 31(15) . . . . ? 
N1 Os1 C1 O1 -157(15) . . . . ? 
Os3 Os1 C1 O1 -161(12) . . . . ? 
Os2 Os1 C1 O1 139(15) . . . . ? 
C9 Os3 C10 O10 -66(16) . . . . ? 
C8 Os3 C10 O10 34(16) . . . . ? 
C7 Os3 C10 O10 150(14) . . . . ? 
Os1 Os3 C10 O10 140(16) . . . . ? 
Os2 Os3 C10 O10 -159(16) . . . . ? 
C2 Os1 N1 C11 143.7(8) . . . . ? 
C3 Os1 N1 C11 -40(3) . . . . ? 
C1 Os1 N1 C11 -119.3(8) . . . . ? 
Os3 Os1 N1 C11 60.4(7) . . . . ? 
Os2 Os1 N1 C11 2.0(7) . . . . ? 
C2 Os1 N1 C15 -40.1(10) . . . . ? 
C3 Os1 N1 C15 136(3) . . . . ? 
C1 Os1 N1 C15 57.0(10) . . . . ? 
Os3 Os1 N1 C15 -123.3(9) . . . . ? 
Os2 Os1 N1 C15 178.3(10) . . . . ? 
C6 Os2 C4 O4 -87(44) . . . . ? 
C5 Os2 C4 O4 10(44) . . . . ? 
C11 Os2 C4 O4 109(43) . . . . ? 
Os3 Os2 C4 O4 -175(100) . . . . ? 
Os1 Os2 C4 O4 128(44) . . . . ? 
C6 Os2 C5 O5 42(21) . . . . ? 
C4 Os2 C5 O5 -52(21) . . . . ? 
C11 Os2 C5 O5 134(21) . . . . ? 
Os3 Os2 C5 O5 -177(100) . . . . ? 
Os1 Os2 C5 O5 -161(21) . . . . ? 
C3 Os1 C2 O2 -40(25) . . . . ? 
C1 Os1 C2 O2 51(25) . . . . ? 
N1 Os1 C2 O2 139(25) . . . . ? 
Os3 Os1 C2 O2 -134(25) . . . . ? 
Os2 Os1 C2 O2 -157(24) . . . . ? 
C2 Os1 C3 O3 116(24) . . . . ? 
C1 Os1 C3 O3 19(24) . . . . ? 
N1 Os1 C3 O3 -60(25) . . . . ? 
Os3 Os1 C3 O3 -161(24) . . . . ? 
Os2 Os1 C3 O3 -101(24) . . . . ? 
C9 Os3 C8 O8 -45(25) . . . . ? 
C7 Os3 C8 O8 48(25) . . . . ? 
C10 Os3 C8 O8 -138(25) . . . . ? 
Os1 Os3 C8 O8 134(25) . . . . ? 
Os2 Os3 C8 O8 136(24) . . . . ? 
C9 Os3 C7 O7 99(17) . . . . ? 
C8 Os3 C7 O7 -1(17) . . . . ? 
C10 Os3 C7 O7 -117(17) . . . . ? 
Os1 Os3 C7 O7 -107(17) . . . . ? 
Os2 Os3 C7 O7 -168(17) . . . . ? 
C15 C14 C13 C12 1.9(17) . . . . ? 
C15 C14 C13 C16 179.0(11) . . . . ? 
C11 C12 C13 C14 -0.7(17) . . . . ? 
C11 C12 C13 C16 -177.8(11) . . . . ? 
O11 C16 C13 C14 65.1(15) . . . . ? 
C17 C16 C13 C14 -58.5(15) . . . . ? 
O11 C16 C13 C12 -117.8(12) . . . . ? 
C17 C16 C13 C12 118.6(13) . . . . ? 
C8 Os3 C9 O9 163(18) . . . . ? 
C7 Os3 C9 O9 72(18) . . . . ? 
C10 Os3 C9 O9 -104(18) . . . . ? 
Os1 Os3 C9 O9 -15(18) . . . . ? 
Os2 Os3 C9 O9 -17(18) . . . . ? 
C11 N1 C15 C14 1.9(18) . . . . ? 
Os1 N1 C15 C14 -173.9(8) . . . . ? 
C13 C14 C15 N1 -2.5(18) . . . . ? 
C15 N1 C11 C12 -0.7(17) . . . . ? 
Os1 N1 C11 C12 175.8(8) . . . . ? 
C15 N1 C11 Os2 -179.3(9) . . . . ? 
Os1 N1 C11 Os2 -2.8(9) . . . . ? 
C13 C12 C11 N1 0.1(17) . . . . ? 
C13 C12 C11 Os2 178.4(8) . . . . ? 
C6 Os2 C11 N1 -142.5(8) . . . . ? 
C5 Os2 C11 N1 121.1(9) . . . . ? 
C4 Os2 C11 N1 21(5) . . . . ? 
Os3 Os2 C11 N1 -55.2(8) . . . . ? 
Os1 Os2 C11 N1 2.1(7) . . . . ? 
C6 Os2 C11 C12 39.0(11) . . . . ? 
C5 Os2 C11 C12 -57.3(11) . . . . ? 
C4 Os2 C11 C12 -157(4) . . . . ? 
Os3 Os2 C11 C12 126.4(10) . . . . ? 
Os1 Os2 C11 C12 -176.3(11) . . . . ? 
C5 Os2 C6 O6 180(100) . . . . ? 
C4 Os2 C6 O6 -87(53) . . . . ? 
C11 Os2 C6 O6 92(53) . . . . ? 
Os3 Os2 C6 O6 3(53) . . . . ? 
Os1 Os2 C6 O6 34(54) . . . . ? 
 
_diffrn_measured_fraction_theta_max    0.995 
_diffrn_reflns_theta_full              27.49 
_diffrn_measured_fraction_theta_full   0.995 
_refine_diff_density_max    1.731 
_refine_diff_density_min   -1.682 
_refine_diff_density_rms    0.250