Decacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-(μ-pentafluorophenylhydrazine-1κ<i>N</i>:2κ<i>N</i>')-<i>triangulo</i>-triosmium: a hydrazino-edge-bridged triangular triosmium cluster
Sun, Bai-Wang; Zhang, Mei-Su; Yang, Guo-Ying; Siau, Gek Ang; How, Ghee Ang; Acta Crystallographica Section E 61 (2005) m2419–m2420; doi:10.1107/S1600536805034471

data_2207244
_publ_section_title
;Decacarbonyl-1\k^3^<i>C</i>,2\k^3^<i>C</i>,3\k^4^<i>C</i>-(\m-pentafluorophenylhydrazine-1\k<i>N</i>:2\k<i>N</i>')-<i>triangulo</i>-triosmium:
 a hydrazino-edge-bridged triangular triosmium cluster
;
_journal_coeditor_code           HB6290
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2419
_journal_page_last               m2420
_journal_paper_doi               10.1107/S1600536805034471
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Os3 (C6 H3 F5 N2) (C O)10]'
_chemical_formula_moiety         'C16 H3 F5 N2 O10 Os3'
_chemical_formula_sum            'C16 H3 F5 N2 O10 Os3'
_chemical_formula_weight         1048.80
_chemical_name_systematic
;
Decacarbonyl-1\k^3^C,2\k^3^C,3\k^4^C-(\m-pentafluorophenylhydrazine-
1\kN:2\kN')-triangulo-triosmium
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.46(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.816(3)
_cell_length_b                   7.6177(15)
_cell_length_c                   19.153(4)
_cell_measurement_temperature    285(2)
_cell_measurement_theta_max      29.95
_cell_measurement_theta_min      1.37
_cell_volume                     2161.6(8)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      285(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0603
_diffrn_reflns_av_sigmaI/netI    0.0709
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            17316
_diffrn_reflns_theta_full        29.95
_diffrn_reflns_theta_max         29.95
_diffrn_reflns_theta_min         1.37
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    17.692
_exptl_absorpt_correction_T_max  0.069
_exptl_absorpt_correction_T_min  0.056
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.223
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.479
_refine_diff_density_min         -3.026
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6269
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0403
_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/[\s^2^(Fo^2^)+(0.0533P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1121
_reflns_number_gt                5341
_reflns_number_total             6269
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6290.cif
_cod_data_source_block           I
_cod_original_cell_volume        2161.6(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2207244
_cod_database_fobs_code          2207244