Luminescent cyclometallated rhodium(iii) bis(pyridylbenzaldehyde) complexes with long-lived excited states
Lo, Kenneth Kam-Wing; Li, Chi-Kwan; Lau, Kin-Wai; Zhu, Nianyong; Dalton Transactions  (2003) 4682–; doi:10.1039/b310899f

data_7013637
_publ_section_title
;
 Luminescent cyclometallated rhodium(iii) bis(pyridylbenzaldehyde)
 complexes with long-lived excited states
;
_journal_issue                   24
_journal_name_full               'Dalton Transactions'
_journal_page_first              4682
_journal_paper_doi               10.1039/b310899f
_journal_year                    2003
_chemical_formula_moiety         'C50 H38 Cl4 N4 O5 Rh2'
_chemical_formula_sum            'C50 H38 Cl4 N4 O5 Rh2'
_chemical_formula_weight         1122.46
_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                75.29(3)
_cell_angle_beta                 88.42(3)
_cell_angle_gamma                70.97(3)
_cell_formula_units_Z            2
_cell_length_a                   10.769(2)
_cell_length_b                   12.909(3)
_cell_length_c                   18.272(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     2318.4(10)
_computing_cell_refinement       Scalepack
_computing_data_collection       Marcontrol
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      253(2)
_diffrn_measured_fraction_theta_full 0.709
_diffrn_measured_fraction_theta_max 0.709
_diffrn_measurement_device_type  'marresearch IPDS mar300'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_sigmaI/netI    0.1045
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9859
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    0.995
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.320
_refine_diff_density_min         -0.984
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         6014
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      0.950
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0517
_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^)+(0.0827P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1354
_refine_ls_wR_factor_ref         0.1525
_reflns_number_gt                3812
_reflns_number_total             6014
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b310899f.txt
_cod_data_source_block           mar975
_cod_original_cell_volume        2318.4(9)
_cod_database_code               7013637