Eilatin as a Bridging Ligand in Ruthenium(II) Complexes: Synthesis, Crystal Structures, Absorption Spectra, and Electrochemical Properties
Dalia Gut; Israel Goldberg; Moshe Kol; Inorganic Chemistry 42 (2003) 3483–3491; doi:10.1021/ic020703c

data_4313681
_publ_section_title
;
 Eilatin as a Bridging Ligand in Ruthenium(II) Complexes: Synthesis,
 Crystal Structures, Absorption Spectra, and Electrochemical Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3483
_journal_page_last               3491
_journal_paper_doi               10.1021/ic020703c
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C110 H107 F24 N13 P4 Ru2'
_chemical_formula_weight         2393.11
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                65.006(10)
_cell_angle_beta                 83.840(10)
_cell_angle_gamma                69.829(10)
_cell_formula_units_Z            2
_cell_length_a                   17.1070(10)
_cell_length_b                   18.3530(10)
_cell_length_c                   21.8140(10)
_cell_measurement_reflns_used    12312
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.12
_cell_volume                     5820.8(8)
_computing_cell_refinement       Denzo
_computing_data_collection       'Collect, Nonius B.V.'
_computing_data_reduction        Denzo
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    DIRDIF-96
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean '56 microns'
_diffrn_measured_fraction_theta_full 0.909
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '1 deg. Phi & Omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0808
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            18425
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    0.403
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             2444
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.396
_refine_diff_density_min         -0.774
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1417
_refine_ls_number_reflns         18425
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1181
_refine_ls_R_factor_gt           0.0745
_refine_ls_shift/su_max          0.343
_refine_ls_shift/su_mean         0.087
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1286P)^2^+14.4693P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2001
_refine_ls_wR_factor_ref         0.2330
_reflns_number_gt                12312
_reflns_number_total             18425
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020703c_3.cif
_cod_data_source_block           compound-5
_cod_original_cell_volume        5820.8(5)
_cod_database_code               4313681