Dinuclear Ruthenium Nitrido Complexes Supported by an Oxygen Tripodal Ligand
Xiao-Yi Yi; Ho-Yuen Ng; Wai-Man Cheung; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung; Inorganic Chemistry 51 (2012) 10529–10535; doi:10.1021/ic300638r

data_4330543
_publ_section_title
;
 Dinuclear Ruthenium Nitrido Complexes Supported by an Oxygen Tripodal
 Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10529
_journal_page_last               10535
_journal_paper_doi               10.1021/ic300638r
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C51 H110 Cl4 Co2 N2 O19.25 P6 Ru2'
_chemical_formula_weight         1707.03
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.410(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   42.3383(12)
_cell_length_b                   13.6577(3)
_cell_length_c                   28.3023(6)
_cell_measurement_reflns_used    9893
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      71.48
_cell_measurement_theta_min      2.25
_cell_volume                     15129.7(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.993
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0604
_diffrn_reflns_av_sigmaI/netI    0.0674
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            40275
_diffrn_reflns_theta_full        66.50
_diffrn_reflns_theta_max         67.50
_diffrn_reflns_theta_min         3.27
_exptl_absorpt_coefficient_mu    9.565
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_description       block
_exptl_crystal_F_000             7072
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.400
_refine_diff_density_min         -1.178
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     759
_refine_ls_number_reflns         13550
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0756
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0440P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1044
_refine_ls_wR_factor_ref         0.1099
_reflns_number_gt                8665
_reflns_number_total             13550
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300638r_si_001_2.cif
_cod_data_source_block           yxy222comp3
_cod_original_cell_volume        15129.7(6)
_cod_database_code               4330543