Tetraosmium carbonyl clusters containing µ-NH2 amido ligands: syntheses, crystal structures and reactivities
Li, Yat; Wong, Wing-Tak; Dalton Transactions  (2003) 398–; doi:10.1039/b208321c

data_7012169
_publ_section_title
;
 Tetraosmium carbonyl clusters containing &#x00B5;-NH2 amido ligands:
 syntheses, crystal structures and reactivities
;
_journal_issue                   3
_journal_name_full               'Dalton Transactions'
_journal_page_first              398
_journal_paper_doi               10.1039/b208321c
_journal_year                    2003
_chemical_formula_moiety         'C9 H4 Br N O9 Os3 '
_chemical_formula_sum            'C9 H4 Br N O9 Os3'
_chemical_formula_weight         920.64
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Tue Aug 27 12:47:15 2002'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 113.96(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.392(1)
_cell_length_b                   9.7620(6)
_cell_length_c                   14.773(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1764.9(2)
_computing_cell_refinement       'SMART (Bruker, 1996)'
_computing_data_collection       'SMART (Bruker, 1996)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_publication_material  'teXsan (MSC, 1992)'
_computing_structure_refinement  'teXsan (MSC, 1992)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      298.2
_diffrn_measured_fraction_theta_full 27.5
_diffrn_measured_fraction_theta_max 27.5
_diffrn_measurement_device       'Bruker SMART 1K CCD Detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       'Bruker SMART 1K CCD Detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10910
_diffrn_reflns_reduction_process 'SAINT+ (Bruker, 1999)'
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.5
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    23.841
_exptl_absorpt_correction_T_max  0.150
_exptl_absorpt_correction_T_min  0.001
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1600.00
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.080
_refine_diff_density_max         2.24
_refine_diff_density_min         -1.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.303
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3207
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0457
_reflns_number_gt                3207
_reflns_number_total             4229
_reflns_threshold_expression     I>\1.5\s(I)
_cod_data_source_file            b208321c.txt
_cod_data_source_block           wt0421w_YAT087_#1_compound_5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 27 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C9 H4 Br N O9 Os3 '
_cod_database_code               7012169