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_4073350
_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 F12 P6 Ru2'
_chemical_formula_sum            'C64 H58 F12 P6 Ru2'
_chemical_formula_weight         1443.13
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.70(2)
_cell_angle_beta                 84.93(2)
_cell_angle_gamma                69.31(2)
_cell_formula_units_Z            2
_cell_length_a                   11.960(10)
_cell_length_b                   15.49(2)
_cell_length_c                   20.45(2)
_cell_measurement_reflns_used    590
_cell_measurement_temperature    150
_cell_measurement_theta_max      19.8
_cell_measurement_theta_min      2.40
_cell_volume                     3322(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  .13
_diffrn_reflns_av_sigmaI/netI    .586
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25294
_diffrn_reflns_theta_full        20.81
_diffrn_reflns_theta_max         20.81
_diffrn_reflns_theta_min         1.06
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    .67
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .52
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          .08
_exptl_crystal_size_mid          .06
_exptl_crystal_size_min          .04
_refine_diff_density_max         1.718
_refine_diff_density_min         -1.759
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   .955
_refine_ls_goodness_of_fit_ref   1.222
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     179
_refine_ls_number_reflns         1899
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .392
_refine_ls_R_factor_gt           .159
_refine_ls_shift/su_max          .01
_refine_ls_shift/su_mean         .0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 w=1/(sig^2(F) + .08F + .19F^2)
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .29
_refine_ls_wR_factor_ref         .209
_reflns_d_resolution_high        1.
_reflns_d_resolution_low         19.092
_reflns_Friedel_coverage         0
_reflns_limit_h_max              11
_reflns_limit_h_min              0
_reflns_limit_k_max              15
_reflns_limit_k_min              -13
_reflns_limit_l_max              20
_reflns_limit_l_min              -20
_reflns_number_gt                1899
_reflns_number_total             6797
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            om7002859-file001.cif
_cod_data_source_block           br1017
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               4073350