# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2001
# CCDC Number: 186/2268

data_ic6515

_audit_creation_method            SHELXL
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C38.50 H31.50 Cl2 N3 O2 Os P'
_chemical_formula_weight          860.24
_chemical_melting_point           ?
_chemical_compound_source         ?

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'
'P'  'P'   0.1023   0.0942
'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'
'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/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                    40.4327(2)
_cell_length_b                    10.9195(2)
_cell_length_c                    17.5688(3)
_cell_angle_alpha                 90.00
_cell_angle_beta                  112.731(1)
_cell_angle_gamma                 90.00
_cell_volume                      7154.2(2)
_cell_formula_units_Z             8
_cell_measurement_temperature     295(2)
_cell_measurement_reflns_used     6551
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        plate
_exptl_crystal_colour             colorless
_exptl_crystal_size_max           0.30
_exptl_crystal_size_mid           0.22
_exptl_crystal_size_min           0.02
_exptl_crystal_density_meas       not_measured
_exptl_crystal_density_diffrn     1.597
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              3396
_exptl_absorpt_coefficient_mu     3.797
_exptl_absorpt_correction_type    ' empirical used sadabs'
_exptl_absorpt_correction_T_min   0.5139
_exptl_absorpt_correction_T_max   0.7195

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       295(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device        'Siemens SMART CCD'
_diffrn_measurement_method        '\w scans'
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         0
_diffrn_reflns_number             19051
_diffrn_reflns_av_R_equivalents   0.0630
_diffrn_reflns_av_sigmaI/netI     0.0716
_diffrn_reflns_limit_h_min        -50
_diffrn_reflns_limit_h_max        34
_diffrn_reflns_limit_k_min        -13
_diffrn_reflns_limit_k_max        13
_diffrn_reflns_limit_l_min        -21
_diffrn_reflns_limit_l_max        21
_diffrn_reflns_theta_min          1.94
_diffrn_reflns_theta_max          26.39
_reflns_number_total              7104
_reflns_number_observed           5205
_reflns_observed_criterion        >2sigma(I)

_computing_data_collection        'Siemens SMART'
_computing_cell_refinement        'Siemens SAINT'
_computing_data_reduction         'Siemens SAINT'
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics     'Siemens SHELXTL'
_computing_publication_material   'Siemens SHELXTL'

_refine_special_details
;
Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^
or flagged by the user for potential systematic errors.  Weighted R-factors
wR and all goodnesses 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 observed criterion
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0849P)^2^+0.0000P] 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     ?
_refine_ls_extinction_method      SHELXL
_refine_ls_extinction_coef        0.00007(3)
_refine_ls_extinction_expression
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^'
_refine_ls_number_reflns          7104
_refine_ls_number_parameters      416
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0835
_refine_ls_R_factor_obs           0.0564
_refine_ls_wR_factor_all          0.1456
_refine_ls_wR_factor_obs          0.1353
_refine_ls_goodness_of_fit_all    1.021
_refine_ls_goodness_of_fit_obs    1.117
_refine_ls_restrained_S_all       1.021
_refine_ls_restrained_S_obs       1.117
_refine_ls_shift/esd_max          0.018
_refine_ls_shift/esd_mean         0.001

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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Os Os 0.139625(8) 0.42756(2) 0.78675(2) 0.03708(13) Uani 1 d . .
Cl1 Cl 0.11397(10) 0.0887(3) 1.0145(2) 0.0971(11) Uani 1 d . .
P1 P 0.13587(6) 0.5816(2) 0.87570(12) 0.0387(5) Uani 1 d . .
O1 O 0.1555(2) 0.5659(4) 0.7273(4) 0.0503(14) Uani 1 d . .
O2 O 0.1327(2) 0.3135(5) 0.6874(3) 0.0535(15) Uani 1 d . .
N1 N 0.1936(2) 0.3984(5) 0.8249(4) 0.0356(14) Uani 1 d . .
N2 N 0.2113(2) 0.3163(6) 0.8795(4) 0.047(2) Uani 1 d . .
N3 N 0.0888(2) 0.3978(5) 0.7448(4) 0.047(2) Uani 1 d . .
H3B H 0.0756(2) 0.4302(5) 0.7678(4) 0.057 Uiso 1 calc R .
C1 C 0.1880(3) 0.5503(6) 0.7287(5) 0.044(2) Uani 1 d . .
C2 C 0.2023(3) 0.6214(8) 0.6809(6) 0.058(2) Uani 1 d . .
H2A H 0.1881(3) 0.6788(8) 0.6434(6) 0.069 Uiso 1 calc R .
C3 C 0.2370(3) 0.6052(8) 0.6902(6) 0.059(3) Uani 1 d . .
H3A H 0.2459(3) 0.6530(8) 0.6587(6) 0.071 Uiso 1 calc R .
C4 C 0.2601(3) 0.5198(8) 0.7452(6) 0.055(2) Uani 1 d . .
C5 C 0.2467(2) 0.4481(7) 0.7906(5) 0.048(2) Uani 1 d . .
H5A H 0.2613(2) 0.3902(7) 0.8272(5) 0.057 Uiso 1 calc R .
C6 C 0.2114(2) 0.4625(7) 0.7817(5) 0.043(2) Uani 1 d . .
C7 C 0.1878(2) 0.2630(7) 0.9117(5) 0.042(2) Uani 1 d . .
C8 C 0.2014(3) 0.1706(7) 0.9727(5) 0.054(2) Uani 1 d . .
H8A H 0.2253(3) 0.1471(7) 0.9915(5) 0.065 Uiso 1 calc R .
C9 C 0.1784(3) 0.1165(8) 1.0036(5) 0.061(3) Uani 1 d . .
H9A H 0.1865(3) 0.0545(8) 1.0428(5) 0.073 Uiso 1 calc R .
C10 C 0.1427(3) 0.1564(8) 0.9750(6) 0.057(2) Uani 1 d . .
C11 C 0.1298(2) 0.2462(7) 0.9150(5) 0.048(2) Uani 1 d . .
H11A H 0.1058(2) 0.2685(7) 0.8968(5) 0.058 Uiso 1 calc R .
C12 C 0.1513(2) 0.3033(7) 0.8815(4) 0.041(2) Uani 1 d . .
C13 C 0.2989(3) 0.5049(11) 0.7512(7) 0.081(3) Uani 1 d . .
H13A H 0.3034(3) 0.5626(11) 0.7151(7) 0.122 Uiso 1 calc R .
H13B H 0.3023(3) 0.4232(11) 0.7354(7) 0.122 Uiso 1 calc R .
H13C H 0.3153(3) 0.5196(11) 0.8070(7) 0.122 Uiso 1 calc R .
C14 C 0.0996(3) 0.2792(7) 0.6475(5) 0.049(2) Uani 1 d . .
C15 C 0.0886(3) 0.2012(7) 0.5775(6) 0.068(3) Uani 1 d . .
H15A H 0.1052(3) 0.1709(7) 0.5577(6) 0.082 Uiso 1 calc R .
C16 C 0.0538(4) 0.1718(8) 0.5402(6) 0.086(4) Uani 1 d . .
H16A H 0.0466(4) 0.1222(8) 0.4936(6) 0.103 Uiso 1 calc R .
C17 C 0.0277(3) 0.2136(10) 0.5693(8) 0.095(4) Uani 1 d . .
C18 C 0.0379(3) 0.2875(9) 0.6369(7) 0.075(3) Uani 1 d . .
H18A H 0.0211(3) 0.3150(9) 0.6573(7) 0.090 Uiso 1 calc R .
C19 C 0.0739(2) 0.3215(7) 0.6754(5) 0.053(2) Uani 1 d . .
C20 C -0.0132(4) 0.1830(12) 0.5209(11) 0.161(8) Uani 1 d . .
H20A H -0.0158(4) 0.1301(12) 0.4752(11) 0.241 Uiso 1 calc R .
H20B H -0.0263(4) 0.2574(12) 0.5008(11) 0.241 Uiso 1 calc R .
H20C H -0.0224(4) 0.1427(12) 0.5572(11) 0.241 Uiso 1 calc R .
C21 C 0.1747(2) 0.6212(7) 0.9691(5) 0.043(2) Uani 1 d . .
C22 C 0.2093(3) 0.5993(8) 0.9742(6) 0.058(2) Uani 1 d . .
H22A H 0.2124(3) 0.5591(8) 0.9308(6) 0.069 Uiso 1 calc R .
C23 C 0.2393(3) 0.6349(9) 1.0415(6) 0.063(2) Uani 1 d . .
H23A H 0.2622(3) 0.6171(9) 1.0443(6) 0.076 Uiso 1 calc R .
C24 C 0.2342(3) 0.6985(8) 1.1052(5) 0.069(3) Uani 1 d . .
H24A H 0.2540(3) 0.7270(8) 1.1498(5) 0.082 Uiso 1 calc R .
C25 C 0.2003(3) 0.7193(9) 1.1025(5) 0.070(3) Uani 1 d . .
H25A H 0.1971(3) 0.7597(9) 1.1458(5) 0.084 Uiso 1 calc R .
C26 C 0.1710(3) 0.6797(8) 1.0350(5) 0.058(2) Uani 1 d . .
H26A H 0.1481(3) 0.6929(8) 1.0340(5) 0.070 Uiso 1 calc R .
C27 C 0.1230(2) 0.7284(7) 0.8203(5) 0.049(2) Uani 1 d . .
C28 C 0.1373(3) 0.8390(8) 0.8547(6) 0.063(3) Uani 1 d . .
H28A H 0.1539(3) 0.8414(8) 0.9089(6) 0.076 Uiso 1 calc R .
C29 C 0.1273(4) 0.9484(9) 0.8096(8) 0.084(4) Uani 1 d . .
H29A H 0.1376(4) 1.0222(9) 0.8337(8) 0.101 Uiso 1 calc R .
C30 C 0.1029(4) 0.9464(9) 0.7319(7) 0.084(4) Uani 1 d . .
H30A H 0.0954(4) 1.0196(9) 0.7033(7) 0.101 Uiso 1 calc R .
C31 C 0.0888(3) 0.8360(9) 0.6935(6) 0.073(3) Uani 1 d . .
H31A H 0.0733(3) 0.8350(9) 0.6383(6) 0.088 Uiso 1 calc R .
C32 C 0.0979(3) 0.7275(9) 0.7378(6) 0.063(3) Uani 1 d . .
H32A H 0.0875(3) 0.6542(9) 0.7131(6) 0.076 Uiso 1 calc R .
C33 C 0.1007(2) 0.5513(7) 0.9159(5) 0.048(2) Uani 1 d . .
C34 C 0.0658(3) 0.5867(9) 0.8716(8) 0.073(3) Uani 1 d . .
H34A H 0.0599(3) 0.6297(9) 0.8224(8) 0.087 Uiso 1 calc R .
C35 C 0.0390(4) 0.5569(12) 0.9017(11) 0.096(4) Uani 1 d . .
H35A H 0.0155(4) 0.5811(12) 0.8718(11) 0.115 Uiso 1 calc R .
C36 C 0.0467(4) 0.4944(11) 0.9725(11) 0.098(5) Uani 1 d . .
H36A H 0.0289(4) 0.4750(11) 0.9916(11) 0.118 Uiso 1 calc R .
C37 C 0.0817(4) 0.4600(10) 1.0159(8) 0.086(4) Uani 1 d . .
H37A H 0.0875(4) 0.4179(10) 1.0654(8) 0.103 Uiso 1 calc R .
C38 C 0.1087(3) 0.4865(8) 0.9876(6) 0.063(3) Uani 1 d . .
H38A H 0.1321(3) 0.4602(8) 1.0173(6) 0.075 Uiso 1 calc R .
C39 C 0.0000 0.9669 0.7500 0.305 Uiso 1 d S .
H39A H 0.0181 0.9788 0.8042 0.366 Uiso 0.50 d P .
Cl2 Cl -0.0222 1.0697 0.7078 0.268 Uiso 0.50 d P .
Cl3 Cl -0.0046 0.8451 0.7118 0.248 Uiso 0.50 d P .

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
Os 0.0476(2) 0.0248(2) 0.0375(2) -0.00199(12) 0.01499(13) -0.00038(13)
Cl1 0.112(3) 0.084(2) 0.120(3) 0.040(2) 0.072(2) -0.002(2)
P1 0.0504(13) 0.0278(9) 0.0374(10) -0.0030(8) 0.0166(9) -0.0003(9)
O1 0.066(4) 0.035(3) 0.058(4) 0.005(2) 0.032(3) -0.001(3)
O2 0.068(4) 0.045(3) 0.049(3) -0.010(3) 0.025(3) -0.003(3)
N1 0.046(4) 0.026(3) 0.040(3) -0.007(2) 0.022(3) -0.003(3)
N2 0.054(4) 0.038(4) 0.048(4) 0.004(3) 0.017(3) 0.007(3)
N3 0.049(4) 0.029(3) 0.061(4) -0.002(3) 0.019(3) 0.005(3)
C1 0.066(6) 0.026(4) 0.045(5) -0.004(3) 0.028(4) -0.007(3)
C2 0.084(7) 0.033(4) 0.064(6) 0.010(4) 0.037(5) -0.003(4)
C3 0.081(8) 0.044(5) 0.071(6) -0.006(4) 0.050(6) -0.013(5)
C4 0.070(7) 0.037(4) 0.069(6) -0.018(4) 0.039(5) -0.015(4)
C5 0.056(6) 0.046(5) 0.049(5) -0.009(4) 0.029(4) -0.002(4)
C6 0.061(6) 0.027(4) 0.045(4) -0.009(3) 0.025(4) -0.009(3)
C7 0.048(5) 0.036(4) 0.040(4) 0.001(3) 0.015(4) -0.002(3)
C8 0.063(6) 0.041(5) 0.052(5) 0.010(4) 0.014(4) -0.001(4)
C9 0.084(7) 0.041(5) 0.046(5) 0.009(4) 0.013(5) -0.010(5)
C10 0.077(7) 0.042(5) 0.056(5) 0.003(4) 0.031(5) -0.012(5)
C11 0.053(5) 0.031(4) 0.056(5) 0.006(3) 0.017(4) 0.001(3)
C12 0.059(5) 0.036(4) 0.032(4) -0.001(3) 0.021(4) 0.002(4)
C13 0.072(8) 0.081(8) 0.105(9) -0.015(7) 0.051(7) -0.018(6)
C14 0.068(6) 0.023(4) 0.048(5) 0.003(3) 0.012(4) -0.001(4)
C15 0.113(9) 0.030(4) 0.051(5) -0.010(4) 0.020(5) -0.018(5)
C16 0.129(11) 0.031(5) 0.060(6) -0.011(4) -0.005(7) -0.005(6)
C17 0.087(9) 0.043(6) 0.108(9) -0.018(6) -0.014(7) -0.010(6)
C18 0.059(6) 0.050(6) 0.096(8) -0.007(5) 0.007(6) -0.001(5)
C19 0.057(6) 0.030(4) 0.052(5) 0.001(3) -0.002(4) 0.000(4)
C20 0.100(11) 0.075(9) 0.210(18) -0.050(10) -0.047(11) -0.007(7)
C21 0.064(6) 0.027(4) 0.038(4) -0.002(3) 0.020(4) 0.000(4)
C22 0.077(7) 0.043(5) 0.053(5) -0.010(4) 0.025(5) -0.010(4)
C23 0.056(6) 0.064(6) 0.057(6) 0.002(5) 0.009(5) -0.010(5)
C24 0.098(9) 0.055(6) 0.035(5) -0.001(4) 0.005(5) -0.021(6)
C25 0.099(9) 0.065(6) 0.045(5) -0.018(5) 0.026(5) -0.016(6)
C26 0.081(7) 0.056(6) 0.042(5) -0.007(4) 0.027(5) -0.006(5)
C27 0.063(6) 0.037(4) 0.043(4) -0.003(4) 0.017(4) 0.008(4)
C28 0.092(8) 0.037(5) 0.061(6) 0.001(4) 0.029(5) 0.002(5)
C29 0.134(11) 0.035(5) 0.085(8) 0.002(5) 0.046(8) 0.002(6)
C30 0.126(11) 0.052(6) 0.068(7) 0.013(5) 0.030(7) 0.019(6)
C31 0.090(8) 0.057(6) 0.056(6) 0.015(5) 0.010(5) 0.015(5)
C32 0.070(7) 0.052(5) 0.058(6) -0.002(4) 0.014(5) 0.010(5)
C33 0.057(6) 0.037(4) 0.056(5) -0.005(4) 0.030(4) -0.006(4)
C34 0.072(8) 0.062(6) 0.091(8) -0.019(5) 0.038(6) -0.004(5)
C35 0.064(8) 0.084(9) 0.148(14) -0.026(9) 0.050(9) -0.003(6)
C36 0.119(12) 0.059(8) 0.159(14) -0.024(8) 0.101(12) -0.020(8)
C37 0.130(12) 0.057(7) 0.099(9) -0.012(6) 0.076(9) -0.019(7)
C38 0.091(8) 0.040(5) 0.069(6) -0.001(4) 0.043(6) -0.004(5)

_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
Os N3 1.923(7) . ?
Os N1 2.047(6) . ?
Os C12 2.056(7) . ?
Os O2 2.074(5) . ?
Os O1 2.075(5) . ?
Os P1 2.341(2) . ?
Cl1 C10 1.731(9) . ?
P1 C21 1.832(8) . ?
P1 C27 1.842(8) . ?
P1 C33 1.845(9) . ?
O1 C1 1.317(10) . ?
O2 C14 1.305(10) . ?
N1 N2 1.305(8) . ?
N1 C6 1.416(10) . ?
N2 C7 1.406(10) . ?
N3 C19 1.407(10) . ?
C1 C6 1.413(11) . ?
C1 C2 1.421(11) . ?
C2 C3 1.358(13) . ?
C3 C4 1.406(14) . ?
C4 C5 1.370(11) . ?
C4 C13 1.540(13) . ?
C5 C6 1.384(12) . ?
C7 C8 1.419(11) . ?
C7 C12 1.433(11) . ?
C8 C9 1.377(12) . ?
C9 C10 1.404(13) . ?
C10 C11 1.386(11) . ?
C11 C12 1.373(11) . ?
C14 C19 1.388(13) . ?
C14 C15 1.419(11) . ?
C15 C16 1.338(15) . ?
C16 C17 1.42(2) . ?
C17 C18 1.362(15) . ?
C17 C20 1.58(2) . ?
C18 C19 1.396(12) . ?
C21 C26 1.381(11) . ?
C21 C22 1.386(12) . ?
C22 C23 1.382(12) . ?
C23 C24 1.398(13) . ?
C24 C25 1.371(14) . ?
C25 C26 1.382(12) . ?
C27 C28 1.374(12) . ?
C27 C32 1.413(11) . ?
C28 C29 1.404(13) . ?
C29 C30 1.34(2) . ?
C30 C31 1.391(14) . ?
C31 C32 1.387(12) . ?
C33 C38 1.370(12) . ?
C33 C34 1.379(14) . ?
C34 C35 1.41(2) . ?
C35 C36 1.35(2) . ?
C36 C37 1.38(2) . ?
C37 C38 1.393(15) . ?
C39 Cl2 1.45 2_556 ?
C39 Cl2 1.45 . ?
C39 Cl3 1.47 2_556 ?
C39 Cl3 1.47 . ?
Cl2 Cl2 1.83 2_556 ?
Cl3 Cl3 1.25 2_556 ?

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
N3 Os N1 161.0(2) . . ?
N3 Os C12 94.3(3) . . ?
N1 Os C12 75.6(3) . . ?
N3 Os O2 78.4(3) . . ?
N1 Os O2 87.8(2) . . ?
C12 Os O2 101.5(3) . . ?
N3 Os O1 115.0(3) . . ?
N1 Os O1 77.2(2) . . ?
C12 Os O1 150.4(3) . . ?
O2 Os O1 88.9(2) . . ?
N3 Os P1 92.4(2) . . ?
N1 Os P1 103.3(2) . . ?
C12 Os P1 89.3(2) . . ?
O2 Os P1 166.2(2) . . ?
O1 Os P1 85.7(2) . . ?
C21 P1 C27 103.7(4) . . ?
C21 P1 C33 102.7(4) . . ?
C27 P1 C33 104.8(4) . . ?
C21 P1 Os 120.9(3) . . ?
C27 P1 Os 110.5(3) . . ?
C33 P1 Os 112.6(3) . . ?
C1 O1 Os 113.5(5) . . ?
C14 O2 Os 113.7(5) . . ?
N2 N1 C6 119.1(7) . . ?
N2 N1 Os 124.0(5) . . ?
C6 N1 Os 116.5(5) . . ?
N1 N2 C7 108.5(7) . . ?
C19 N3 Os 118.1(6) . . ?
O1 C1 C6 120.5(7) . . ?
O1 C1 C2 123.4(8) . . ?
C6 C1 C2 116.1(9) . . ?
C3 C2 C1 119.6(9) . . ?
C2 C3 C4 123.4(8) . . ?
C5 C4 C3 118.1(9) . . ?
C5 C4 C13 121.4(9) . . ?
C3 C4 C13 120.4(9) . . ?
C4 C5 C6 119.5(8) . . ?
C5 C6 C1 123.3(8) . . ?
C5 C6 N1 126.7(7) . . ?
C1 C6 N1 109.9(8) . . ?
N2 C7 C8 118.4(8) . . ?
N2 C7 C12 118.9(7) . . ?
C8 C7 C12 122.7(8) . . ?
C9 C8 C7 118.7(9) . . ?
C8 C9 C10 118.9(8) . . ?
C11 C10 C9 121.6(8) . . ?
C11 C10 Cl1 119.6(8) . . ?
C9 C10 Cl1 118.8(7) . . ?
C12 C11 C10 122.2(8) . . ?
C11 C12 C7 115.8(7) . . ?
C11 C12 Os 131.4(6) . . ?
C7 C12 Os 112.5(5) . . ?
O2 C14 C19 117.9(7) . . ?
O2 C14 C15 123.4(9) . . ?
C19 C14 C15 118.6(9) . . ?
C16 C15 C14 119.1(11) . . ?
C15 C16 C17 122.3(10) . . ?
C18 C17 C16 119.4(10) . . ?
C18 C17 C20 119.8(13) . . ?
C16 C17 C20 120.7(12) . . ?
C17 C18 C19 119.1(11) . . ?
C14 C19 C18 121.5(9) . . ?
C14 C19 N3 111.9(8) . . ?
C18 C19 N3 126.5(9) . . ?
C26 C21 C22 117.4(8) . . ?
C26 C21 P1 121.8(7) . . ?
C22 C21 P1 120.7(6) . . ?
C23 C22 C21 122.4(9) . . ?
C22 C23 C24 118.2(10) . . ?
C25 C24 C23 120.6(9) . . ?
C24 C25 C26 119.4(9) . . ?
C21 C26 C25 122.0(10) . . ?
C28 C27 C32 118.1(8) . . ?
C28 C27 P1 123.2(6) . . ?
C32 C27 P1 118.7(6) . . ?
C27 C28 C29 121.3(10) . . ?
C30 C29 C28 119.9(10) . . ?
C29 C30 C31 120.7(9) . . ?
C30 C31 C32 119.9(9) . . ?
C31 C32 C27 119.9(9) . . ?
C38 C33 C34 119.3(9) . . ?
C38 C33 P1 120.1(8) . . ?
C34 C33 P1 120.4(7) . . ?
C33 C34 C35 119.3(12) . . ?
C36 C35 C34 121.8(13) . . ?
C35 C36 C37 118.1(12) . . ?
C36 C37 C38 121.8(13) . . ?
C33 C38 C37 119.7(11) . . ?
Cl2 C39 Cl2 78.5 2_556 . ?
Cl2 C39 Cl3 121.6 2_556 2_556 ?
Cl2 C39 Cl3 151.5 . 2_556 ?
Cl2 C39 Cl3 151.5 2_556 . ?
Cl2 C39 Cl3 121.6 . . ?
Cl3 C39 Cl3 50.3 2_556 . ?
C39 Cl2 Cl2 50.8 . 2_556 ?
Cl3 Cl3 C39 64.9 2_556 . ?

_refine_diff_density_max    3.342
_refine_diff_density_min   -1.944
_refine_diff_density_rms    0.183




data_IC5981

_audit_creation_method            SHELXL
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C49 H39 Br Cl N2 O Os P2'
_chemical_formula_weight          1039.32
_chemical_melting_point           ?
_chemical_compound_source         ?

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'
'P'  'P'   0.1023   0.0942
'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'
'Br'  'Br'  -0.2901   2.4595
'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    P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                    12.2703(2)
_cell_length_b                    19.1253(1)
_cell_length_c                    19.2075(3)
_cell_angle_alpha                 90.00
_cell_angle_beta                  107.742(1)
_cell_angle_gamma                 90.00
_cell_volume                      4293.1(1)
_cell_formula_units_Z             4
_cell_measurement_temperature     295(2)
_cell_measurement_reflns_used     7482
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        plate
_exptl_crystal_colour             black
_exptl_crystal_size_max           0.40
_exptl_crystal_size_mid           0.20
_exptl_crystal_size_min           0.04
_exptl_crystal_density_meas       not_measured
_exptl_crystal_density_diffrn     1.608
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              2052
_exptl_absorpt_coefficient_mu     4.077
_exptl_absorpt_correction_type    'empirical used sadabs'
_exptl_absorpt_correction_T_min   0.3187
_exptl_absorpt_correction_T_max   0.5643

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       295(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device        'Siemens SMART CCD'
_diffrn_measurement_method        '\w scans'
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         0
_diffrn_reflns_number             19163
_diffrn_reflns_av_R_equivalents   0.0494
_diffrn_reflns_av_sigmaI/netI     0.0666
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_k_min        -9
_diffrn_reflns_limit_k_max        23
_diffrn_reflns_limit_l_min        -23
_diffrn_reflns_limit_l_max        24
_diffrn_reflns_theta_min          1.54
_diffrn_reflns_theta_max          26.38
_reflns_number_total              8690
_reflns_number_observed           6696
_reflns_observed_criterion        >2sigma(I)

_computing_data_collection        'Siemens SMART'
_computing_cell_refinement        'Siemens SAINT'
_computing_data_reduction         'Siemens SAINT'
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics     'Siemens SHELXTL'
_computing_publication_material   'Siemens SHELXTL'

_refine_special_details
;
Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^
or flagged by the user for potential systematic errors.  Weighted R-factors
wR and all goodnesses 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 observed criterion
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0830P)^2^+18.8233P] 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     ?
_refine_ls_extinction_method      SHELXL
_refine_ls_extinction_coef        0.00053(10)
_refine_ls_extinction_expression
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^'
_refine_ls_number_reflns          8690
_refine_ls_number_parameters      515
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0791
_refine_ls_R_factor_obs           0.0571
_refine_ls_wR_factor_all          0.1610
_refine_ls_wR_factor_obs          0.1494
_refine_ls_goodness_of_fit_all    1.045
_refine_ls_goodness_of_fit_obs    1.112
_refine_ls_restrained_S_all       1.045
_refine_ls_restrained_S_obs       1.112
_refine_ls_shift/esd_max          0.004
_refine_ls_shift/esd_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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Os Os 0.43641(3) 0.29496(2) 0.28560(2) 0.02832(13) Uani 1 d . .
Br Br 0.47177(12) 0.17497(7) 0.33467(8) 0.0804(4) Uani 1 d . .
Cl Cl 0.7150(3) 0.3724(2) 0.57806(14) 0.0713(8) Uani 1 d . .
P1 P 0.2721(2) 0.29936(10) 0.32836(12) 0.0322(4) Uani 1 d . .
P2 P 0.6039(2) 0.27825(11) 0.24714(12) 0.0354(5) Uani 1 d . .
O1 O 0.3335(5) 0.2746(3) 0.1763(3) 0.0412(14) Uani 1 d . .
N1 N 0.4420(6) 0.4484(4) 0.2819(4) 0.037(2) Uani 1 d . .
N2 N 0.4026(5) 0.3919(3) 0.2451(4) 0.0310(14) Uani 1 d . .
C1 C 0.5232(6) 0.3587(4) 0.3689(4) 0.032(2) Uani 1 d . .
C2 C 0.5891(7) 0.3431(5) 0.4412(5) 0.041(2) Uani 1 d . .
H2A H 0.6010(7) 0.2968(5) 0.4563(5) 0.049 Uiso 1 calc R .
C3 C 0.6357(8) 0.3956(5) 0.4893(5) 0.045(2) Uani 1 d . .
C4 C 0.6233(9) 0.4656(5) 0.4700(5) 0.053(2) Uani 1 d . .
H4A H 0.6579(9) 0.5002(5) 0.5034(5) 0.063 Uiso 1 calc R .
C5 C 0.5582(8) 0.4828(5) 0.3997(5) 0.050(2) Uani 1 d . .
H5A H 0.5484(8) 0.5294(5) 0.3855(5) 0.060 Uiso 1 calc R .
C6 C 0.5075(7) 0.4307(4) 0.3502(4) 0.034(2) Uani 1 d . .
C7 C 0.3248(7) 0.3979(4) 0.1730(4) 0.034(2) Uani 1 d . .
C8 C 0.2835(8) 0.4606(5) 0.1393(5) 0.048(2) Uani 1 d . .
H8A H 0.3068(8) 0.5026(5) 0.1637(5) 0.058 Uiso 1 calc R .
C9 C 0.2067(8) 0.4607(6) 0.0687(5) 0.055(3) Uani 1 d . .
C10 C 0.1562(11) 0.5277(7) 0.0344(7) 0.081(4) Uani 1 d . .
H10A H 0.1891(11) 0.5658(7) 0.0665(7) 0.122 Uiso 1 calc R .
H10B H 0.0749(11) 0.5270(7) 0.0259(7) 0.122 Uiso 1 calc R .
H10C H 0.1720(11) 0.5337(7) -0.0112(7) 0.122 Uiso 1 calc R .
C11 C 0.1764(9) 0.3962(6) 0.0357(5) 0.056(3) Uani 1 d . .
H11A H 0.1265(9) 0.3951(6) -0.0118(5) 0.067 Uiso 1 calc R .
C12 C 0.2166(9) 0.3332(5) 0.0697(5) 0.052(2) Uani 1 d . .
H12A H 0.1926(9) 0.2912(5) 0.0453(5) 0.062 Uiso 1 calc R .
C13 C 0.2926(7) 0.3328(5) 0.1400(4) 0.039(2) Uani 1 d . .
C14 C 0.3030(8) 0.3066(5) 0.4270(5) 0.043(2) Uani 1 d . .
C15 C 0.2491(9) 0.3546(6) 0.4606(6) 0.055(3) Uani 1 d . .
H15A H 0.1977(9) 0.3870(6) 0.4325(6) 0.066 Uiso 1 calc R .
C16 C 0.2728(12) 0.3538(7) 0.5369(6) 0.072(3) Uani 1 d . .
H16A H 0.2344(12) 0.3847(7) 0.5586(6) 0.086 Uiso 1 calc R .
C17 C 0.3483(12) 0.3103(8) 0.5785(6) 0.077(4) Uani 1 d . .
H17A H 0.3649(12) 0.3119(8) 0.6291(6) 0.092 Uiso 1 calc R .
C18 C 0.4037(11) 0.2612(8) 0.5460(7) 0.083(4) Uani 1 d . .
H18A H 0.4567(11) 0.2303(8) 0.5753(7) 0.099 Uiso 1 calc R .
C19 C 0.3796(10) 0.2589(6) 0.4714(5) 0.061(3) Uani 1 d . .
H19A H 0.4145(10) 0.2253(6) 0.4503(5) 0.074 Uiso 1 calc R .
C20 C 0.1800(7) 0.2226(4) 0.3089(5) 0.034(2) Uani 1 d . .
C21 C 0.1095(8) 0.2072(5) 0.3503(5) 0.046(2) Uani 1 d . .
H21A H 0.1107(8) 0.2358(5) 0.3898(5) 0.055 Uiso 1 calc R .
C22 C 0.0374(8) 0.1506(5) 0.3347(6) 0.054(3) Uani 1 d . .
H22A H -0.0114(8) 0.1418(5) 0.3624(6) 0.065 Uiso 1 calc R .
C23 C 0.0378(8) 0.1077(5) 0.2790(6) 0.053(2) Uani 1 d . .
H23A H -0.0092(8) 0.0684(5) 0.2696(6) 0.063 Uiso 1 calc R .
C24 C 0.1064(9) 0.1212(5) 0.2362(6) 0.056(3) Uani 1 d . .
H24A H 0.1050(9) 0.0920(5) 0.1973(6) 0.067 Uiso 1 calc R .
C25 C 0.1779(8) 0.1789(5) 0.2514(5) 0.045(2) Uani 1 d . .
H25A H 0.2250(8) 0.1882(5) 0.2227(5) 0.054 Uiso 1 calc R .
C26 C 0.1732(7) 0.3696(4) 0.2877(5) 0.039(2) Uani 1 d . .
C27 C 0.0724(8) 0.3563(5) 0.2318(5) 0.051(2) Uani 1 d . .
H27A H 0.0530(8) 0.3105(5) 0.2171(5) 0.062 Uiso 1 calc R .
C28 C 0.0011(10) 0.4098(6) 0.1980(7) 0.069(3) Uani 1 d . .
H28A H -0.0663(10) 0.3998(6) 0.1611(7) 0.083 Uiso 1 calc R .
C29 C 0.0291(11) 0.4787(7) 0.2185(7) 0.074(4) Uani 1 d . .
H29A H -0.0195(11) 0.5149(7) 0.1960(7) 0.088 Uiso 1 calc R .
C30 C 0.1304(10) 0.4929(6) 0.2729(7) 0.065(3) Uani 1 d . .
H30A H 0.1505(10) 0.5389(6) 0.2865(7) 0.078 Uiso 1 calc R .
C31 C 0.2005(8) 0.4400(4) 0.3065(5) 0.045(2) Uani 1 d . .
H31A H 0.2683(8) 0.4505(4) 0.3429(5) 0.054 Uiso 1 calc R .
C32 C 0.7389(8) 0.2891(5) 0.3204(5) 0.044(2) Uani 1 d . .
C33 C 0.7603(8) 0.2484(7) 0.3823(5) 0.058(3) Uani 1 d . .
H33A H 0.7089(8) 0.2134(7) 0.3847(5) 0.070 Uiso 1 calc R .
C34 C 0.8573(10) 0.2591(8) 0.4408(6) 0.074(4) Uani 1 d . .
H34A H 0.8694(10) 0.2319(8) 0.4826(6) 0.089 Uiso 1 calc R .
C35 C 0.9363(10) 0.3093(8) 0.4383(7) 0.076(4) Uani 1 d . .
H35A H 1.0008(10) 0.3166(8) 0.4782(7) 0.091 Uiso 1 calc R .
C36 C 0.9187(10) 0.3488(7) 0.3757(9) 0.083(4) Uani 1 d . .
H36A H 0.9727(10) 0.3818(7) 0.3728(9) 0.099 Uiso 1 calc R .
C37 C 0.8206(9) 0.3392(6) 0.3172(6) 0.063(3) Uani 1 d . .
H37A H 0.8089(9) 0.3664(6) 0.2754(6) 0.076 Uiso 1 calc R .
C38 C 0.6135(8) 0.1912(4) 0.2098(5) 0.039(2) Uani 1 d . .
C39 C 0.7140(9) 0.1519(6) 0.2309(6) 0.055(3) Uani 1 d . .
H39A H 0.7795(9) 0.1705(6) 0.2640(6) 0.066 Uiso 1 calc R .
C40 C 0.7168(11) 0.0850(6) 0.2028(7) 0.069(3) Uani 1 d . .
H40A H 0.7838(11) 0.0588(6) 0.2177(7) 0.083 Uiso 1 calc R .
C41 C 0.6217(11) 0.0579(5) 0.1534(7) 0.062(3) Uani 1 d . .
H41A H 0.6233(11) 0.0135(5) 0.1342(7) 0.074 Uiso 1 calc R .
C42 C 0.5246(10) 0.0968(6) 0.1327(6) 0.061(3) Uani 1 d . .
H42A H 0.4598(10) 0.0782(6) 0.0990(6) 0.074 Uiso 1 calc R .
C43 C 0.5186(9) 0.1631(5) 0.1601(6) 0.053(2) Uani 1 d . .
H43A H 0.4508(9) 0.1884(5) 0.1448(6) 0.064 Uiso 1 calc R .
C44 C 0.6148(7) 0.3372(5) 0.1739(5) 0.041(2) Uani 1 d . .
C45 C 0.6252(12) 0.3134(6) 0.1084(7) 0.073(3) Uani 1 d . .
H45A H 0.6267(12) 0.2655(6) 0.1005(7) 0.088 Uiso 1 calc R .
C46 C 0.6335(15) 0.3581(9) 0.0552(7) 0.099(5) Uani 1 d . .
H46A H 0.6451(15) 0.3409(9) 0.0127(7) 0.119 Uiso 1 calc R .
C47 C 0.6246(14) 0.4273(8) 0.0644(8) 0.093(5) Uani 1 d . .
H47A H 0.6248(14) 0.4576(8) 0.0266(8) 0.111 Uiso 1 calc R .
C48 C 0.6153(12) 0.4542(6) 0.1288(8) 0.082(4) Uani 1 d . .
H48A H 0.6125(12) 0.5023(6) 0.1352(8) 0.099 Uiso 1 calc R .
C49 C 0.6102(10) 0.4091(6) 0.1838(6) 0.061(3) Uani 1 d . .
H49A H 0.6037(10) 0.4268(6) 0.2274(6) 0.073 Uiso 1 calc R .

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
Os 0.0319(2) 0.0265(2) 0.0251(2) -0.00166(12) 0.00636(13) -0.00189(13)
Br 0.0891(9) 0.0691(8) 0.0870(10) 0.0073(7) 0.0329(8) 0.0045(7)
Cl 0.084(2) 0.075(2) 0.0332(13) 0.0025(12) -0.0139(13) -0.004(2)
P1 0.0351(11) 0.0308(10) 0.0304(10) -0.0076(8) 0.0095(9) -0.0044(9)
P2 0.0364(12) 0.0366(11) 0.0328(11) -0.0030(9) 0.0099(10) -0.0024(9)
O1 0.052(4) 0.034(3) 0.033(3) -0.010(2) 0.006(3) -0.004(3)
N1 0.036(4) 0.033(4) 0.038(4) 0.000(3) 0.005(3) -0.003(3)
N2 0.031(3) 0.032(3) 0.030(4) 0.001(3) 0.011(3) -0.001(3)
C1 0.026(4) 0.036(4) 0.030(4) -0.005(3) 0.003(3) -0.004(3)
C2 0.044(5) 0.036(5) 0.037(5) 0.006(4) 0.004(4) -0.001(4)
C3 0.052(6) 0.045(5) 0.030(4) 0.003(4) -0.001(4) 0.001(4)
C4 0.066(6) 0.044(5) 0.040(5) -0.013(4) 0.003(5) -0.011(5)
C5 0.057(6) 0.031(4) 0.048(6) -0.005(4) -0.004(5) -0.001(4)
C6 0.037(4) 0.034(4) 0.026(4) 0.001(3) 0.005(3) 0.001(4)
C7 0.040(5) 0.036(4) 0.023(4) 0.002(3) 0.007(3) 0.001(4)
C8 0.044(5) 0.049(5) 0.044(5) 0.007(4) 0.003(4) -0.006(4)
C9 0.045(6) 0.067(7) 0.044(6) 0.020(5) 0.001(5) 0.002(5)
C10 0.077(8) 0.077(8) 0.066(8) 0.020(7) -0.014(7) 0.001(7)
C11 0.052(6) 0.077(7) 0.026(5) -0.003(5) -0.005(4) 0.004(5)
C12 0.059(6) 0.054(6) 0.034(5) -0.009(4) 0.001(5) -0.001(5)
C13 0.042(5) 0.050(5) 0.026(4) 0.002(4) 0.010(4) 0.003(4)
C14 0.040(5) 0.053(5) 0.036(5) -0.008(4) 0.012(4) -0.018(4)
C15 0.057(6) 0.066(7) 0.047(6) -0.015(5) 0.022(5) -0.010(5)
C16 0.091(9) 0.088(9) 0.048(7) -0.024(6) 0.037(7) -0.023(8)
C17 0.076(9) 0.122(12) 0.034(6) -0.011(7) 0.018(6) -0.038(8)
C18 0.074(8) 0.116(11) 0.051(7) 0.020(7) 0.008(6) -0.002(8)
C19 0.071(7) 0.079(8) 0.036(5) 0.002(5) 0.019(5) 0.006(6)
C20 0.026(4) 0.031(4) 0.039(5) -0.003(3) 0.000(4) -0.001(3)
C21 0.054(6) 0.042(5) 0.049(6) -0.008(4) 0.026(5) -0.008(4)
C22 0.047(6) 0.053(6) 0.072(7) -0.003(5) 0.031(5) -0.012(5)
C23 0.041(5) 0.038(5) 0.075(7) -0.008(5) 0.012(5) -0.014(4)
C24 0.057(6) 0.048(6) 0.063(6) -0.025(5) 0.019(5) -0.022(5)
C25 0.044(5) 0.049(5) 0.045(5) -0.011(4) 0.016(4) -0.012(4)
C26 0.046(5) 0.040(5) 0.034(5) -0.003(4) 0.017(4) 0.001(4)
C27 0.059(6) 0.039(5) 0.047(6) -0.005(4) 0.002(5) 0.006(4)
C28 0.060(7) 0.062(7) 0.065(7) 0.005(6) -0.008(6) 0.004(6)
C29 0.080(8) 0.062(7) 0.080(9) 0.014(6) 0.027(7) 0.035(7)
C30 0.075(8) 0.042(6) 0.079(8) -0.012(5) 0.026(7) 0.002(5)
C31 0.049(5) 0.034(4) 0.052(6) -0.006(4) 0.016(4) -0.001(4)
C32 0.035(5) 0.056(6) 0.042(5) -0.012(4) 0.011(4) -0.002(4)
C33 0.032(5) 0.095(9) 0.046(6) 0.007(6) 0.010(4) -0.002(5)
C34 0.049(7) 0.124(12) 0.049(7) 0.006(7) 0.013(5) 0.013(7)
C35 0.044(6) 0.106(10) 0.064(8) -0.028(7) -0.001(6) 0.004(7)
C36 0.042(6) 0.078(9) 0.110(12) -0.018(8) -0.004(7) -0.014(6)
C37 0.054(6) 0.069(7) 0.062(7) -0.007(6) 0.011(5) -0.006(6)
C38 0.050(5) 0.036(5) 0.035(5) -0.006(4) 0.017(4) -0.001(4)
C39 0.048(6) 0.058(6) 0.056(6) 0.000(5) 0.010(5) 0.016(5)
C40 0.079(8) 0.057(7) 0.073(8) 0.010(6) 0.026(7) 0.025(6)
C41 0.083(8) 0.034(5) 0.075(8) -0.001(5) 0.034(7) 0.002(5)
C42 0.063(7) 0.055(6) 0.071(7) -0.018(5) 0.029(6) -0.014(5)
C43 0.053(6) 0.053(6) 0.055(6) -0.013(5) 0.018(5) 0.003(5)
C44 0.040(5) 0.051(5) 0.039(5) 0.000(4) 0.021(4) 0.003(4)
C45 0.107(10) 0.056(6) 0.062(7) 0.000(6) 0.034(7) -0.005(7)
C46 0.158(15) 0.109(12) 0.047(7) 0.008(7) 0.058(9) -0.019(11)
C47 0.142(14) 0.078(10) 0.072(9) 0.029(7) 0.053(9) -0.002(9)
C48 0.099(10) 0.053(7) 0.111(11) 0.024(7) 0.055(9) 0.012(7)
C49 0.075(7) 0.056(6) 0.068(7) 0.010(5) 0.046(6) 0.006(6)

_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
Os N2 2.005(6) . ?
Os C1 2.034(8) . ?
Os O1 2.130(6) . ?
Os P1 2.400(2) . ?
Os P2 2.408(2) . ?
Os Br 2.4686(14) . ?
Cl C3 1.743(9) . ?
P1 C26 1.818(9) . ?
P1 C20 1.820(8) . ?
P1 C14 1.821(9) . ?
P2 C32 1.829(9) . ?
P2 C38 1.831(9) . ?
P2 C44 1.839(9) . ?
O1 C13 1.329(10) . ?
N1 N2 1.301(9) . ?
N1 C6 1.357(10) . ?
N2 C7 1.427(10) . ?
C1 C2 1.410(11) . ?
C1 C6 1.422(11) . ?
C2 C3 1.367(12) . ?
C3 C4 1.385(13) . ?
C4 C5 1.382(13) . ?
C5 C6 1.386(12) . ?
C7 C8 1.383(12) . ?
C7 C13 1.397(12) . ?
C8 C9 1.396(13) . ?
C9 C11 1.384(15) . ?
C9 C10 1.488(15) . ?
C11 C12 1.388(14) . ?
C12 C13 1.388(12) . ?
C14 C19 1.398(14) . ?
C14 C15 1.400(13) . ?
C15 C16 1.405(15) . ?
C16 C17 1.32(2) . ?
C17 C18 1.41(2) . ?
C18 C19 1.37(2) . ?
C20 C21 1.374(12) . ?
C20 C25 1.378(12) . ?
C21 C22 1.373(13) . ?
C22 C23 1.349(14) . ?
C23 C24 1.369(14) . ?
C24 C25 1.384(12) . ?
C26 C27 1.392(13) . ?
C26 C31 1.408(12) . ?
C27 C28 1.374(14) . ?
C28 C29 1.39(2) . ?
C29 C30 1.39(2) . ?
C30 C31 1.357(14) . ?
C32 C33 1.378(14) . ?
C32 C37 1.402(14) . ?
C33 C34 1.380(15) . ?
C34 C35 1.38(2) . ?
C35 C36 1.38(2) . ?
C36 C37 1.39(2) . ?
C38 C43 1.370(13) . ?
C38 C39 1.395(13) . ?
C39 C40 1.394(15) . ?
C40 C41 1.36(2) . ?
C41 C42 1.36(2) . ?
C42 C43 1.382(14) . ?
C44 C45 1.379(15) . ?
C44 C49 1.392(14) . ?
C45 C46 1.36(2) . ?
C46 C47 1.35(2) . ?
C47 C48 1.37(2) . ?
C48 C49 1.38(2) . ?

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
N2 Os C1 75.4(3) . . ?
N2 Os O1 78.2(2) . . ?
C1 Os O1 153.6(3) . . ?
N2 Os P1 90.2(2) . . ?
C1 Os P1 90.2(2) . . ?
O1 Os P1 92.1(2) . . ?
N2 Os P2 95.7(2) . . ?
C1 Os P2 91.7(2) . . ?
O1 Os P2 88.8(2) . . ?
P1 Os P2 174.08(7) . . ?
N2 Os Br 178.3(2) . . ?
C1 Os Br 105.5(2) . . ?
O1 Os Br 100.9(2) . . ?
P1 Os Br 88.29(6) . . ?
P2 Os Br 85.79(6) . . ?
C26 P1 C20 102.5(4) . . ?
C26 P1 C14 106.9(4) . . ?
C20 P1 C14 101.2(4) . . ?
C26 P1 Os 113.5(3) . . ?
C20 P1 Os 115.8(3) . . ?
C14 P1 Os 115.3(3) . . ?
C32 P2 C38 104.7(4) . . ?
C32 P2 C44 105.0(4) . . ?
C38 P2 C44 103.2(4) . . ?
C32 P2 Os 114.0(3) . . ?
C38 P2 Os 113.8(3) . . ?
C44 P2 Os 114.9(3) . . ?
C13 O1 Os 112.3(5) . . ?
N2 N1 C6 109.3(7) . . ?
N1 N2 C7 119.3(6) . . ?
N1 N2 Os 123.9(5) . . ?
C7 N2 Os 116.6(5) . . ?
C2 C1 C6 116.5(7) . . ?
C2 C1 Os 130.8(6) . . ?
C6 C1 Os 112.6(6) . . ?
C3 C2 C1 120.5(8) . . ?
C2 C3 C4 122.7(8) . . ?
C2 C3 Cl 117.9(7) . . ?
C4 C3 Cl 119.4(7) . . ?
C5 C4 C3 118.3(8) . . ?
C4 C5 C6 120.3(8) . . ?
N1 C6 C5 119.6(8) . . ?
N1 C6 C1 118.7(7) . . ?
C5 C6 C1 121.7(7) . . ?
C8 C7 C13 123.2(8) . . ?
C8 C7 N2 124.3(8) . . ?
C13 C7 N2 112.5(7) . . ?
C7 C8 C9 119.8(9) . . ?
C11 C9 C8 116.9(9) . . ?
C11 C9 C10 123.2(9) . . ?
C8 C9 C10 119.8(10) . . ?
C9 C11 C12 123.4(8) . . ?
C13 C12 C11 120.0(9) . . ?
O1 C13 C12 123.4(8) . . ?
O1 C13 C7 119.9(7) . . ?
C12 C13 C7 116.7(8) . . ?
C19 C14 C15 118.1(9) . . ?
C19 C14 P1 118.3(7) . . ?
C15 C14 P1 123.5(8) . . ?
C14 C15 C16 119.8(11) . . ?
C17 C16 C15 121.6(12) . . ?
C16 C17 C18 119.8(11) . . ?
C19 C18 C17 120.2(13) . . ?
C18 C19 C14 120.5(11) . . ?
C21 C20 C25 118.2(8) . . ?
C21 C20 P1 121.0(7) . . ?
C25 C20 P1 120.8(7) . . ?
C22 C21 C20 121.3(9) . . ?
C23 C22 C21 119.7(9) . . ?
C22 C23 C24 120.8(9) . . ?
C23 C24 C25 119.4(9) . . ?
C20 C25 C24 120.5(9) . . ?
C27 C26 C31 117.3(8) . . ?
C27 C26 P1 121.1(7) . . ?
C31 C26 P1 121.4(7) . . ?
C28 C27 C26 121.2(10) . . ?
C27 C28 C29 120.3(10) . . ?
C30 C29 C28 119.2(10) . . ?
C31 C30 C29 120.3(10) . . ?
C30 C31 C26 121.6(9) . . ?
C33 C32 C37 118.3(9) . . ?
C33 C32 P2 119.3(7) . . ?
C37 C32 P2 122.4(8) . . ?
C32 C33 C34 120.6(11) . . ?
C35 C34 C33 121.1(12) . . ?
C34 C35 C36 119.2(11) . . ?
C35 C36 C37 120.1(12) . . ?
C36 C37 C32 120.7(12) . . ?
C43 C38 C39 118.6(9) . . ?
C43 C38 P2 119.2(7) . . ?
C39 C38 P2 122.2(7) . . ?
C40 C39 C38 120.4(10) . . ?
C41 C40 C39 120.1(10) . . ?
C42 C41 C40 119.0(10) . . ?
C41 C42 C43 122.3(11) . . ?
C38 C43 C42 119.5(10) . . ?
C45 C44 C49 117.9(9) . . ?
C45 C44 P2 123.0(8) . . ?
C49 C44 P2 119.1(7) . . ?
C46 C45 C44 121.9(12) . . ?
C47 C46 C45 119.4(13) . . ?
C46 C47 C48 121.2(12) . . ?
C47 C48 C49 119.4(12) . . ?
C48 C49 C44 120.0(11) . . ?

_refine_diff_density_max    1.607
_refine_diff_density_min   -3.374
_refine_diff_density_rms    0.180

#===END