Subnanosecond isomerization in an osmium-dimethyl sulfoxide complex.
Mockus, Nicholas V.; Petersen, Jeffrey L.; Rack, Jeffrey J.; Inorganic chemistry 45 (2006) 8–10; doi:10.1021/ic051720f

data_4340257
_publ_section_title
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 Subnanosecond isomerization in an osmium-dimethyl sulfoxide complex.
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_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8
_journal_page_last               10
_journal_paper_doi               10.1021/ic051720f
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C26 H28 F6 N4 O8 Os S4'
_chemical_formula_weight         956.96
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                86.314(1)
_cell_angle_beta                 88.223(1)
_cell_angle_gamma                78.625(1)
_cell_formula_units_Z            4
_cell_length_a                   13.3739(7)
_cell_length_b                   13.7489(8)
_cell_length_c                   18.6149(10)
_cell_measurement_temperature    295(2)
_cell_volume                     3348.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0771
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            23225
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    4.145
_exptl_absorpt_correction_type   empircal
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.898
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description
'irregular shaped orange crystalline fragment'
_exptl_crystal_F_000             1880
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.898
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1091
_refine_ls_number_reflns         14687
_refine_ls_number_restraints     76
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0568
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.451
_refine_ls_shift/su_mean         0.021
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0608P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1207
_reflns_number_gt                11750
_reflns_number_total             14687
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051720fsi20051005_104849.cif
_cod_data_source_block           nm455ccd
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4340257