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_4321191
_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            'C64 H80 Ag Au6 F6 N6 O7 P'
_chemical_formula_weight         2479.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 105.6440(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4136(3)
_cell_length_b                   27.6277(4)
_cell_length_c                   16.71820(10)
_cell_measurement_temperature    213(2)
_cell_volume                     7300.36(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.902
_diffrn_measured_fraction_theta_max 0.902
_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  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0815
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            48087
_diffrn_reflns_theta_full        27.73
_diffrn_reflns_theta_max         27.73
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    12.362
_exptl_crystal_density_diffrn    2.256
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4608
_refine_diff_density_max         21.004
_refine_diff_density_min         -3.639
_refine_diff_density_rms         0.545
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   4.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     866
_refine_ls_number_reflns         15476
_refine_ls_number_restraints     246
_refine_ls_restrained_S_all      4.037
_refine_ls_R_factor_all          0.1329
_refine_ls_R_factor_gt           0.0862
_refine_ls_shift/su_max          15.000
_refine_ls_shift/su_mean         0.103
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2207
_refine_ls_wR_factor_ref         0.2245
_reflns_number_gt                9494
_reflns_number_total             15476
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic991492n_3.cif
_cod_data_source_block           Compund_6
_cod_database_code               4321191