Redox-Active Complexes Containing Group 8 Metal Centers Linked by C2Bridges
Bruce, Michael I.; Costuas, Karine; Ellis, Ben G.; Halet, Jean-François; Low, Paul J.; Moubaraki, Boujemaa; Murray, Keith S.; Ouddaï, Nadia; Perkins, Gary J.; Skelton, Brian W.; White, Allan H.; Organometallics 26 (2007) 3735–; doi:10.1021/om7002859

data_4073346
_publ_section_title
;
 Redox-Active Complexes Containing Group 8 Metal Centers Linked by
 C2Bridges
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3735
_journal_paper_doi               10.1021/om7002859
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C64 H58 P4 Ru2, 2(C H2 Cl2)'
_chemical_formula_sum            'C65 H60 Cl2 P4 Ru2'
_chemical_formula_weight         1238.14
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 111.627(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   15.210(2)
_cell_length_b                   20.703(2)
_cell_length_c                   19.144(2)
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.28
_cell_volume                     5603.9(11)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        xtal
_computing_molecular_graphics    'xtal PIG'
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .052
_diffrn_reflns_av_sigmaI/netI    .063
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            48611
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.47
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    .79
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .90
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          .48
_exptl_crystal_size_mid          .36
_exptl_crystal_size_min          .24
_refine_diff_density_max         .932
_refine_diff_density_min         -.668
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.044
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     675
_refine_ls_number_reflns         9028
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          .068
_refine_ls_R_factor_gt           .049
_refine_ls_shift/su_max          .011
_refine_ls_shift/su_mean         .0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .076
_refine_ls_wR_factor_ref         .067
_reflns_d_resolution_high        .8
_reflns_d_resolution_low         13.789
_reflns_Friedel_coverage         0
_reflns_limit_h_max              19
_reflns_limit_h_min              0
_reflns_limit_k_max              25
_reflns_limit_k_min              0
_reflns_limit_l_max              22
_reflns_limit_l_min              -23
_reflns_number_gt                9028
_reflns_number_total             11347
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            om7002859-file001.cif
_cod_data_source_block           br997
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      P_1_21/n_1
_cod_database_code               4073346