Synthesis, Structure, and Physicochemical Characterizations of a New Cationic Ruthenium(I)−Ruthenium(I) Tetracarbonyl Bipyridine Dimer Precursor for the Electrochemical Synthesis of an Organometallic Ruthenium(0) Polymer
Chardon-Noblat, Sylvie; Cripps, Garth H.; Deronzier, Alain; Field, John S.; Gouws, Shawn; Haines, Raymond J.; Southway, Florence; Organometallics 20 (2001) 1668–; doi:10.1021/om0010518

data_4089305
_publ_section_title
;
 Synthesis, Structure, and Physicochemical Characterizations of a New
 Cationic Ruthenium(I)&#x2212;Ruthenium(I) Tetracarbonyl Bipyridine Dimer
 Precursor for the Electrochemical Synthesis of an Organometallic
 Ruthenium(0) Polymer
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1668
_journal_paper_doi               10.1021/om0010518
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'C32 H28 F12 N8 O4 P2 Ru2'
_chemical_formula_weight         1080.70
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_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                 104.149(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.259(4)
_cell_length_b                   17.754(4)
_cell_length_c                   15.937(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23
_cell_measurement_theta_min      2
_cell_volume                     4186.5(17)
_computing_cell_refinement
'Structure Determination Program (B.A. Frenz & Assoc. & Enraf Nonius)'
_computing_data_collection
'Structure Determination Program (B.A. Frenz & Assoc. & Enraf Nonius)'
_computing_data_reduction
'Structure Determination Program (B.A. Frenz & Assoc. & Enraf Nonius)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       Omega-2Theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            3170
_diffrn_reflns_theta_full        22.98
_diffrn_reflns_theta_max         22.98
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        16.2
_diffrn_standards_interval_count '60 minutes'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.897
_exptl_absorpt_correction_T_max  0.9973
_exptl_absorpt_correction_T_min  0.7696
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
   A.C.T.North, D.C.Philips and F.S.Mathews, Acta Crystallogr.,
   Sect. A., 1968, 24, 351
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.865
_refine_diff_density_min         -0.643
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         2897
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0967
_refine_ls_R_factor_gt           0.0587
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0842P)^2^+41.6329P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1430
_refine_ls_wR_factor_ref         0.1831
_reflns_number_gt                1964
_reflns_number_total             2897
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0010518.cif
_cod_data_source_block           fa01
_cod_original_cell_volume        4186.7(16)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4089305