A mixed-valence diruthenium complex, triply bridged by mixed-moieties of chloro and methoxo ligands
Matsuya, Kazuhiro; Fukui, Sohei; Hoshino, Yoshimasa; Nagao, Hirotaka; Dalton Transactions  (2009) 7876–7878; doi:10.1039/b912377f

data_7002326
_publ_section_title
;
 A mixed-valence diruthenium complex, triply bridged by mixed-moieties
 of chloro and methoxo ligands
;
_journal_issue                   38
_journal_name_full               'Dalton Transactions'
_journal_page_first              7876
_journal_page_last               7878
_journal_paper_doi               10.1039/b912377f
_journal_year                    2009
_chemical_formula_moiety         'C30 H40 Cl N6 O2 Ru2, 2(F6 P) (H2 O) '
_chemical_formula_sum            'C30 H42 Cl F12 N6 O3 P2 Ru2'
_chemical_formula_weight         1062.22
_chemical_name_common
;
bis(ethylbis(2-pyridylmethyl)amineruthenium) bis(mu-methoxox)
mu-chloro hexafurorophosphate hydrate
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.796(3)
_cell_length_b                   18.240(4)
_cell_length_c                   16.620(4)
_cell_measurement_reflns_used    10745
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3879.1(16)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.022
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28506
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    1.029
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_correction_T_min  0.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2124.00
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.59
_refine_diff_density_min         -1.08
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     248
_refine_ls_number_reflns         4425
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0520P)^2^+17.7934P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1112
_reflns_number_gt                4393
_reflns_number_total             4425
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b912377f.txt
_cod_data_source_block           1
_cod_original_cell_volume        3879.1(14)
_cod_original_formula_sum        'C30 H42 Cl F12 N6 O3 P2 Ru2 '
_cod_database_code               7002326