Di-μ-pivalamidato-bis[dicarbonyl(triphenylphosphine)ruthenium(II)](Ru—Ru)
Auzias, Mathieu; Therrien, Bruno; Süss-Fink, Georg; Acta Crystallographica Section E 61 (2005) m2426–m2427; doi:10.1107/S1600536805034768

data_2207214
_publ_section_title
;
 Di-\m-pivalamidato-bis[dicarbonyl(triphenylphosphine)ruthenium(II)](Ru---Ru)
;
_journal_coeditor_code           DN6267
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2426
_journal_page_last               m2427
_journal_paper_doi               10.1107/S1600536805034768
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Ru2 (C5 H10 N O)2 (C18 H15 P)2 (C O)4]'
_chemical_formula_moiety         'C50 H50 N2 O6 P2 Ru2'
_chemical_formula_sum            'C50 H50 N2 O6 P2 Ru2'
_chemical_formula_weight         1039.05
_chemical_name_systematic
;
Di-\m-pivalamidato-bis[dicarbonyl(triphenylphosphine)ruthenium(II)](Ru---Ru)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 108.262(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.5453(12)
_cell_length_b                   17.5491(14)
_cell_length_c                   18.1924(12)
_cell_measurement_reflns_used    7998
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.90
_cell_measurement_theta_min      2.35
_cell_volume                     4713.0(6)
_computing_cell_refinement       'CELL in IPDS Software'
_computing_data_collection       'EXPOSE in IPDS Software (Stoe & Cie, 2000)'
_computing_data_reduction        'INTEGRATE in IPDS Software'
_computing_molecular_graphics    'ORTEP-32 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       '\f oscillation'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_sigmaI/netI    0.0940
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            36846
_diffrn_reflns_theta_full        25.94
_diffrn_reflns_theta_max         25.94
_diffrn_reflns_theta_min         2.32
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.759
_exptl_absorpt_correction_T_max  0.887
_exptl_absorpt_correction_T_min  0.620
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.781
_refine_diff_density_min         -0.703
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.828
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     565
_refine_ls_number_reflns         8729
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.828
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0297P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0635
_refine_ls_wR_factor_ref         0.0683
_reflns_number_gt                5326
_reflns_number_total             8729
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn6267.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2207214
_cod_database_fobs_code          2207214