A 3.0 μs Room Temperature Excited State Lifetime of a Bistridentate RuII-Polypyridine Complex for Rod-like Molecular Arrays
Maria Abrahamsson; Michael Jäger; Tomas Österman; Lars Eriksson; Petter Persson; Hans-Christian Becker; Olof Johansson; Leif Hammarström; Journal of the American Chemical Society 128 (2006) 12616–12617; doi:10.1021/ja064262y

data_4110944
_publ_section_title
;
 A 3.0 \ms Room Temperature Excited State Lifetime of a Bistridentate
 RuII-Polypyridine Complex for Rod-like Molecular Arrays
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12616
_journal_page_last               12617
_journal_paper_doi               10.1021/ja064262y
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C49 H30 Cl0 F12 N7.5 P2 Ru'
_chemical_formula_weight         1114.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_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                80.593(7)
_cell_angle_beta                 76.370(7)
_cell_angle_gamma                88.287(6)
_cell_formula_units_Z            2
_cell_length_a                   10.5531(7)
_cell_length_b                   14.5590(11)
_cell_length_c                   16.1074(14)
_cell_measurement_temperature    293(2)
_cell_volume                     2372.6(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.856
_diffrn_measured_fraction_theta_max 0.856
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.0922
_diffrn_reflns_av_sigmaI/netI    0.5175
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            22981
_diffrn_reflns_theta_full        32.31
_diffrn_reflns_theta_max         32.31
_diffrn_reflns_theta_min         3.68
_exptl_absorpt_coefficient_mu    0.490
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_F_000             1117
_refine_diff_density_max         1.309
_refine_diff_density_min         -0.882
_refine_diff_density_rms         0.129
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.08(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.714
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     718
_refine_ls_number_reflns         16781
_refine_ls_number_restraints     311
_refine_ls_restrained_S_all      0.728
_refine_ls_R_factor_all          0.2258
_refine_ls_R_factor_gt           0.0680
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0622P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1419
_refine_ls_wR_factor_ref         0.1733
_reflns_number_gt                4587
_reflns_number_total             16781
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja064262ysi20060616_110039.cif
_cod_data_source_block           rp1
_cod_original_formula_sum        'C49 H30 Cl0 F12 N7.50 P2 Ru'
_cod_database_code               4110944