Rodlike Bimetallic Ruthenium and Osmium Complexes Bridged by Phenylene Spacers. Synthesis, Electrochemistry, and Photophysics
Steve Welter; Nunzio Salluce; Arianna Benetti; Nicolette Rot; Peter Belser; Prashant Sonar; Andrew C. Grimsdale; Klaus Müllen; Martin Lutz; Anthony L. Spek; Luisa De Cola; Inorganic Chemistry 44 (2005) 4706–4718; doi:10.1021/ic0483141

data_4309042
_publ_contact_author_address
; Bijvoet Center for Biomolecular Research
  Dep. Crystal and Structural Chemistry
  Utrecht University
  Padualaan 8
  3584 CH Utrecht
  The Netherlands
;
_publ_contact_author_email       m.lutz@chem.uu.nl
_publ_contact_author_fax         '[+31] 30 2533940'
_publ_contact_author_name        'Martin Lutz'
_publ_contact_author_phone       '[+31] 30 2533902'
_publ_section_title
;
Rodlike Bimetallic Ruthenium and Osmium Complexes Bridged by Phenylene
Spacers. Synthesis, Electrochemistry, and Photophysics
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4706
_journal_page_last               4718
_journal_paper_doi               10.1021/ic0483141
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C45 H40 N6 Ru Si, 2(F6 P)'
_chemical_formula_sum            'C45 H40 F12 N6 P2 Ru Si'
_chemical_formula_weight         1083.93
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                75.8460(6)
_cell_angle_beta                 77.0381(6)
_cell_angle_gamma                75.8165(7)
_cell_formula_units_Z            2
_cell_length_a                   11.6477(2)
_cell_length_b                   11.7793(2)
_cell_length_c                   19.5014(3)
_cell_measurement_reflns_used    85785
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.02
_cell_volume                     2476.56(7)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        HKL2000
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-97 (Beurskens et al., 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            28011
_diffrn_reflns_theta_full        22.00
_diffrn_reflns_theta_max         22.00
_diffrn_reflns_theta_min         1.09
_exptl_absorpt_coefficient_mu    0.488
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.865
_refine_diff_density_min         -1.662
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         6088
_refine_ls_number_restraints     127
_refine_ls_restrained_S_all      1.255
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0671
_refine_ls_shift/su_max          0.113
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1103P)^2^+10.3086P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1837
_refine_ls_wR_factor_ref         0.1892
_reflns_number_gt                5346
_reflns_number_total             6088
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic0483141si20041129_064949.cif
_cod_data_source_block           s2588a
_cod_database_code               4309042