Trans Ruthenium(II) Complexes with NH-Bridged Tetradentate Symmetric and Asymmetric Polypyridyl Ligands
Javier Concepción; Oliver Just; Ana María Leiva; Barbara Loeb; William S. Rees; Inorganic Chemistry 41 (2002) 5937–5939; doi:10.1021/ic025719h

data_4318860
_publ_section_title
;
 Trans Ruthenium(II) Complexes with NH-Bridged Tetradentate Symmetric and
 Asymmetric Polypyridyl Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5937
_journal_page_last               5939
_journal_paper_doi               10.1021/ic025719h
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C32 H25 F12 N9 P2 Ru'
_chemical_formula_weight         926.62
_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                110.895(3)
_cell_angle_beta                 93.645(3)
_cell_angle_gamma                94.311(3)
_cell_formula_units_Z            1
_cell_length_a                   8.1987(15)
_cell_length_b                   9.2888(17)
_cell_length_c                   12.811(2)
_cell_measurement_temperature    193(2)
_cell_volume                     904.6(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.898
_diffrn_measured_fraction_theta_max 0.898
_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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0445
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8217
_diffrn_reflns_theta_full        28.57
_diffrn_reflns_theta_max         28.57
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    0.623
_exptl_absorpt_correction_T_max  0.9107
_exptl_absorpt_correction_T_min  0.8322
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             462
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.743
_refine_diff_density_min         -0.547
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         4137
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0562P)^2^+0.4569P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1041
_refine_ls_wR_factor_ref         0.1082
_reflns_number_gt                3661
_reflns_number_total             4137
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025719h-3_s3.cif
_cod_data_source_block           jcc12
_cod_database_code               4318860