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_4318859
_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            'C30 H27 F12 N7 O P2 Ru S'
_chemical_formula_weight         924.66
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 97.390(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.2944(17)
_cell_length_b                   13.0116(15)
_cell_length_c                   19.175(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3536.8(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.908
_diffrn_measured_fraction_theta_max 0.908
_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  0.0406
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22297
_diffrn_reflns_theta_full        28.67
_diffrn_reflns_theta_max         28.67
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_T_max  0.9325
_exptl_absorpt_correction_T_min  0.9115
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1848
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.792
_refine_diff_density_min         -1.585
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     510
_refine_ls_number_reflns         8267
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0515
_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^)+(0.0908P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1471
_refine_ls_wR_factor_ref         0.1586
_reflns_number_gt                5513
_reflns_number_total             8267
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025719h-3_s2.cif
_cod_data_source_block           jcc10
_cod_original_cell_volume        3536.7(7)
_cod_database_code               4318859