A Strategy for Improving the Room-Temperature Luminescence Properties of Ru(II) Complexes with Tridentate Ligands
Yuan-Qing Fang; Nicholas J. Taylor; Garry S. Hanan; Frédérique Loiseau; Rosalba Passalacqua; Sebastiano Campagna; Hélène Nierengarten; Alain Van Dorsselaer; Journal of the American Chemical Society 124 (2002) 7912–7913; doi:10.1021/ja0261776

data_4114941
_publ_contact_author
;
 Garry S. Hanan
 Department of Chemistry
 University of Waterloo, 
 Waterloo, Ontario, Canada
 N2L 3G1
;
_publ_contact_author_email       ghanan@uwaterloo.ca
_publ_contact_author_fax         '+ 519 746-0435 '
_publ_contact_author_phone       '+ 519 885-1211 ext 6229'
_publ_section_title
;
 A Strategy for Improving the Room-Temperature Luminescence Properties of
 Ru(II) Complexes with Tridentate Ligands
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7912
_journal_page_last               7913
_journal_paper_doi               10.1021/ja0261776
_journal_volume                  124
_journal_year                    2002
_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           SHELXTL-6.12
_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_reflns_used    6314
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.56
_cell_volume                     1979.0(5)
_computing_cell_refinement       Saint
_computing_data_collection       Smart
_computing_data_reduction        Saint
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Bruker APEX '
_diffrn_measurement_method       Omega
_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_absorpt_correction_T_max  -0.053811
_exptl_absorpt_correction_T_min  1.000000
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sad.abs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_description       plate
_exptl_crystal_F_000             933
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.600
_refine_diff_density_min         -1.362
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.889
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         8476
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.889
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0830
_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          0.1456
_refine_ls_wR_factor_ref         0.1485
_reflns_number_gt                7074
_reflns_number_total             8476
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0261776_s2.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               4114941