Polypyridyl ruthenium(II) complexes with tetrazolate-based chelating ligands. Synthesis, reactivity, and electrochemical and photophysical properties.
Stagni, Stefano; Orselli, Enrico; Palazzi, Antonio; De Cola, Luisa; Zacchini, Stefano; Femoni, Cristina; Marcaccio, Massimo; Paolucci, Francesco; Zanarini, Simone; Inorganic chemistry 46 (2007) 9126–9138; doi:10.1021/ic7011556

data_4333432
_publ_section_title
;
 Polypyridyl ruthenium(II) complexes with tetrazolate-based chelating
 ligands. Synthesis, reactivity, and electrochemical and photophysical
 properties.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9126
_journal_page_last               9138
_journal_paper_doi               10.1021/ic7011556
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C28 H25 F12 N11 P2 Ru'
_chemical_formula_weight         906.60
_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                71.8820(10)
_cell_angle_beta                 74.5710(10)
_cell_angle_gamma                71.7250(10)
_cell_formula_units_Z            2
_cell_length_a                   10.6288(7)
_cell_length_b                   12.8757(8)
_cell_length_c                   14.5384(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1764.02(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0220
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16981
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    0.638
_exptl_absorpt_correction_T_max  0.9216
_exptl_absorpt_correction_T_min  0.8776
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         6223
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0698P)^2^+1.7734P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1140
_refine_ls_wR_factor_ref         0.1169
_reflns_number_gt                5765
_reflns_number_total             6223
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7011556sup1.cif
_cod_data_source_block           p-1
_cod_depositor_comments
'Adding full bibliography for 4333432--4333433.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4333432