Hydrogen-bonded assemblies of ruthenium(II)-biimidazole complex cations and cyanometallate anions: structures and photophysics.
Derossi, Sofia; Adams, Harry; Ward, Michael D.; Dalton transactions (Cambridge, England : 2003)  (2007) 33–36; doi:10.1039/b614346f

data_7004978
_publ_section_title
;
 Hydrogen-bonded assemblies of ruthenium(II)-biimidazole complex
 cations and cyanometallate anions: structures and photophysics.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              33
_journal_page_last               36
_journal_paper_doi               10.1039/b614346f
_journal_year                    2007
_chemical_formula_sum            'C66 H55 Co N26 Ru2'
_chemical_formula_weight         1473.43
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.90(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   45.310(9)
_cell_length_b                   14.860(3)
_cell_length_c                   22.980(5)
_cell_measurement_temperature    273(2)
_cell_volume                     13674(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-2'
_diffrn_measurement_method       'phi and 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  0.1301
_diffrn_reflns_av_sigmaI/netI    0.0745
_diffrn_reflns_limit_h_max       58
_diffrn_reflns_limit_h_min       -58
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            293518
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.02
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.8203
_exptl_absorpt_correction_T_min  0.8092
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5984
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.396
_refine_diff_density_min         -0.941
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     827
_refine_ls_number_reflns         15632
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1235
_refine_ls_R_factor_gt           0.0616
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0709P)^2^+78.1028P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1435
_refine_ls_wR_factor_ref         0.1746
_reflns_number_gt                9301
_reflns_number_total             15632
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b614346f.txt
_cod_data_source_block           imw607
_cod_original_cell_volume        13674(5)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7004978