Aqueous Transformation of a Metal Diformate to a Metal Dihydride Carbonyl Complex Accompanied by H2Evolution from the Formato Ligands
Ogo, Seiji; Nishida, Hiromi; Hayashi, Hideki; Murata, Yusuke; Fukuzumi, Shunichi; Organometallics 24 (2005) 4816–; doi:10.1021/om0504147

data_4075998
_publ_section_title
;
 Aqueous Transformation of a Metal Diformate to a Metal Dihydride Carbonyl
 Complex Accompanied by H2Evolution from the Formato Ligands
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4816
_journal_paper_doi               10.1021/om0504147
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C10 H20 F3 N3 Na O10 Rh S'
_chemical_formula_weight         557.23
_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'
_cell_angle_alpha                90
_cell_angle_beta                 108.144(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0327(8)
_cell_length_b                   12.6956(7)
_cell_length_c                   13.5546(9)
_cell_measurement_reflns_used    6339
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.4
_cell_volume                     1967.7(2)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9854
_diffrn_measured_fraction_theta_max 0.9854
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15369
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.076
_exptl_absorpt_correction_T_max  0.833
_exptl_absorpt_correction_T_min  0.793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.80
_refine_diff_density_min         -0.53
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4458
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.0027
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.04200(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0664
_reflns_number_gt                3841
_reflns_number_total             4459
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om0504147si20050525_025604.cif
_cod_data_source_block           '_Rh_tacn_OCHO3_10012004'
_cod_original_formula_sum        'C10 H20 F3 N3 Na O10 Rh S '
_cod_database_code               4075998