Fine-Tuning the Luminescence and HOMO-LUMO Energy Levels in Tetranuclear Gold(I) Fluorinated Amidinate Complexes
Hanan E. Abdou; Ahmed A. Mohamed; José M. López-de-Luzuriaga; Miguel Monge; John P. Fackler; Inorganic Chemistry 51 (2012) 2010–2015; doi:10.1021/ic2010634

data_4328291
_publ_section_title
;
 Fine-Tuning the Luminescence and HOMO-LUMO Energy Levels in Tetranuclear
 Gold(I) Fluorinated Amidinate Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2010
_journal_page_last               2015
_journal_paper_doi               10.1021/ic2010634
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C52 H4 Au4 F40 N8'
_chemical_formula_sum            'C52 H4 Au4 F40 N8'
_chemical_formula_weight         2288.51
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 133.891(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.64(3)
_cell_length_b                   11.801(10)
_cell_length_c                   21.78(2)
_cell_measurement_temperature    110(2)
_cell_volume                     5675(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_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  0.1119
_diffrn_reflns_av_sigmaI/netI    0.2620
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            7448
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    10.489
_exptl_crystal_density_diffrn    2.679
_exptl_crystal_F_000             4192.0
_refine_diff_density_max         10.992
_refine_diff_density_min         -4.890
_refine_diff_density_rms         0.991
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         4853
_refine_ls_number_restraints     468
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.1964
_refine_ls_R_factor_gt           0.1281
_refine_ls_shift/su_max          0.365
_refine_ls_shift/su_mean         0.021
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2532
_refine_ls_wR_factor_ref         0.2132
_reflns_number_gt                1917
_reflns_number_total             4997
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2010634_si_002.cif
_cod_data_source_block           Perfl
_cod_original_cell_volume        5676(9)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4328291