Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to their Ru sites.
Nagao, Shoken; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi; Dalton transactions (Cambridge, England : 2003)  (2005) 3166–3172; doi:10.1039/b503153m

data_7008465
_publ_section_title
;
 Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes
 (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate,
 Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to
 their Ru sites.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3166
_journal_page_last               3172
_journal_paper_doi               10.1039/b503153m
_journal_year                    2005
_chemical_formula_moiety         'C43 H58 B Cl N7 O S2 Rh Ru '
_chemical_formula_sum            'C43 H58 B Cl N7 O Rh Ru S2'
_chemical_formula_weight         1003.34
_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                 90.8538(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.055(2)
_cell_length_b                   19.403(3)
_cell_length_c                   22.302(3)
_cell_measurement_reflns_used    9286
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      3.1
_cell_volume                     4783.3(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9964
_diffrn_measured_fraction_theta_max 0.9964
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            40533
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_exptl_absorpt_coefficient_mu    0.842
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2064.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.14
_refine_diff_density_min         -0.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     575
_refine_ls_number_reflns         11380
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.4700\s(Fo^2^) + 0.1000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1340
_reflns_number_gt                6275
_reflns_number_total             11380
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b503153m.txt
_cod_data_source_block           '[Tp*RhCl(SPh)2RuCp*(MeCN)]_THF_(3a_THF)'
_cod_original_cell_volume        4783.2(11)
_cod_original_formula_sum        'C43 H58 B Cl N7 O S2 Rh Ru '
_cod_database_code               7008465