Ruthenium(II) Complexes with Improved Photophysical Properties Based on Planar 4'-(2-Pyrimidinyl)-2,2':6',2''-terpyridine Ligands
Yuan-Qing Fang; Nicholas J. Taylor; François Laverdière; Garry S. Hanan; Frédérique Loiseau; Francesco Nastasi; Sebastiano Campagna; Hélène Nierengarten; Emmanuelle Leize-Wagner; Alain Van Dorsselaer; Inorganic Chemistry 46 (2007) 2854–2863; doi:10.1021/ic0622609

data_4307760
_publ_contact_author
;
 Garry S. Hanan
 Department of Chemistry
 Universite de Montreal 
 Montreal, Quebec, Canada
 H3T 1J4

;
_publ_contact_author_email       garry.hanan@umontreal.ca
_publ_contact_author_fax         '+ 514 343 2468 '
_publ_contact_author_phone       '+ 514 343 7056'
_publ_section_title
;
Ruthenium(II) Complexes with Improved Photophysical Properties Based on
Planar 4'-(2-Pyrimidinyl)-2,2':6',2''-terpyridine Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2854
_journal_page_last               2863
_journal_paper_doi               10.1021/ic0622609
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C43 H33.17 N11.5 O6.34 Ru'
_chemical_formula_weight         913.49
_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                81.824(2)
_cell_angle_beta                 85.027(2)
_cell_angle_gamma                75.882(2)
_cell_formula_units_Z            2
_cell_length_a                   8.6796(11)
_cell_length_b                   12.2750(16)
_cell_length_c                   19.378(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1979.0(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.929
_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  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0765
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            12219
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.464
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             933
_refine_diff_density_max         1.622
_refine_diff_density_min         -1.336
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.921
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         8476
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.921
_refine_ls_R_factor_all          0.1003
_refine_ls_R_factor_gt           0.0838
_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^)+(0.0200P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1481
_refine_ls_wR_factor_ref         0.1510
_reflns_number_gt                7074
_reflns_number_total             8476
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0622609si20061128_060043.cif
_cod_data_source_block           gsh711s
_cod_original_cell_volume        1979.0(4)
_cod_original_formula_sum        'C43 H33.17 N11.50 O6.34 Ru'
_cod_database_code               4307760