Ruthenium Seleno- and Tellurocarbonyl Complexes: Selenium and Tellurium Atom Transfer to a Terminal Carbido Ligand
Mutoh, Yuichiro; Kozono, Naoki; Araki, Miho; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi; Organometallics 29 (2010) 519–; doi:10.1021/om901029w

data_4067600
_publ_section_title
;
 Ruthenium Seleno- and Tellurocarbonyl Complexes: Selenium and Tellurium
 Atom Transfer to a Terminal Carbido Ligand
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              519
_journal_paper_doi               10.1021/om901029w
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C37 H48 Cl4 N6 Ru Te '
_chemical_formula_sum            'C37 H48 Cl4 N6 Ru Te'
_chemical_formula_weight         947.31
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.595(5)
_cell_angle_beta                 97.457(5)
_cell_angle_gamma                94.576(5)
_cell_formula_units_Z            2
_cell_length_a                   8.759(3)
_cell_length_b                   11.776(4)
_cell_length_c                   19.859(7)
_cell_measurement_reflns_used    5526
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2021.4(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      123.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15297
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.393
_exptl_absorpt_correction_T_max  0.870
_exptl_absorpt_correction_T_min  0.582
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             952.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.83
_refine_diff_density_min         -1.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     443
_refine_ls_number_reflns         8890
_refine_ls_R_factor_gt           0.0612
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0671P)^2^+9.0763P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1641
_reflns_number_gt                7340
_reflns_number_total             8890
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om901029w_si_002.cif
_cod_data_source_block           '_3-CTe_CTedmap'
_cod_original_cell_volume        2021.4(13)
_cod_original_formula_sum        'C37 H48 Cl4 N6 Ru Te '
_cod_database_code               4067600