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_4073348
_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, F6 P2'
_chemical_formula_sum            'C64 H58 F6 P5 Ru2'
_chemical_formula_weight         1298.17
_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                 95.480(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   20.783(10)
_cell_length_b                   12.954(8)
_cell_length_c                   22.973(10)
_cell_measurement_reflns_used    2393
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.22
_cell_measurement_theta_min      2.52
_cell_volume                     6157(6)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_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  .292
_diffrn_reflns_av_sigmaI/netI    .434
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            41287
_diffrn_reflns_theta_full        25.3
_diffrn_reflns_theta_max         25.3
_diffrn_reflns_theta_min         1.26
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    .676
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .69
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             2636
_exptl_crystal_size_max          .13
_exptl_crystal_size_mid          .05
_exptl_crystal_size_min          .04
_refine_diff_density_max         3.372
_refine_diff_density_min         -1.5
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   .894
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     378
_refine_ls_number_reflns         3281
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .321
_refine_ls_R_factor_gt           .125
_refine_ls_shift/su_max          .031
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 w=1/(sig^2(F) + .05F + .01F^2)
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .228
_refine_ls_wR_factor_ref         .149
_reflns_d_resolution_high        .83
_reflns_d_resolution_low         16.075
_reflns_Friedel_coverage         0
_reflns_limit_h_max              24
_reflns_limit_h_min              0
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              27
_reflns_limit_l_min              -27
_reflns_number_gt                3281
_reflns_number_total             10951
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            om7002859-file001.cif
_cod_data_source_block           br1030
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      P_1_21/n_1
_cod_database_code               4073348