Luminescent Chains Formed from Neutral, Triangular Gold Complexes Sandwiching TlI and AgI. Structures of {Ag([Au(μ-C2,N3-bzim)]3)2}BF4.CH2Cl2, {Tl([Au(μ-C2,N3-bzim)]3)2}PF6.0.5THF (bzim = 1-Benzylimidazolate), and {Tl([Au(μ-C(OEt)NC6H4CH3)]3)2}PF6.THF, with MAu6 (M = Ag+, Tl+) Cluster Cores
Alfredo Burini; Rita Bravi; John P. Fackler,; Rossana Galassi; Tiffany A. Grant; Mohammad A. Omary; Bianca R. Pietroni; Richard J. Staples; Inorganic Chemistry 39 (2000) 3158–3165; doi:10.1021/ic991492n

data_4321190
_publ_section_title
;
 Luminescent Chains Formed from Neutral, Triangular Gold Complexes
 Sandwiching TlI and AgI. Structures of
 {Ag([Au(\m-C2,N3-bzim)]3)2}BF4.CH2Cl2,
 {Tl([Au(\m-C2,N3-bzim)]3)2}PF6.0.5THF (bzim = 1-Benzylimidazolate), and
 {Tl([Au(\m-C(OEt)NC6H4CH3)]3)2}PF6.THF, with MAu6 (M = Ag+, Tl+) Cluster
 Cores
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3158
_journal_page_last               3165
_journal_paper_doi               10.1021/ic991492n
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C62 H58 Au6 F6 N12 O0.5 P Tl'
_chemical_formula_weight         2510.34
_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                106.018(1)
_cell_angle_beta                 101.585(2)
_cell_angle_gamma                102.068(2)
_cell_formula_units_Z            2
_cell_length_a                   15.2093(1)
_cell_length_b                   15.3931(4)
_cell_length_c                   16.1599(4)
_cell_measurement_temperature    213(2)
_cell_volume                     3418.93(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0466
_diffrn_reflns_av_sigmaI/netI    0.0751
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18240
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    15.257
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             2284
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.712
_refine_diff_density_min         -2.642
_refine_diff_density_rms         0.355
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     795
_refine_ls_number_reflns         11882
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0360P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0976
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                8566
_reflns_number_total             11882
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic991492n_2.cif
_cod_data_source_block           COMPOUND_5
_cod_original_cell_volume        3418.9(1)
_cod_original_formula_sum        'C62 H58 Au6 F6 N12 O0.50 P Tl'
_cod_database_code               4321190