Fluorescent Coordination Networks of 2,3,6,7,10,11-Hexakis(phenylthio)triphenylene and Silver(I) Triflate
Kunhao Li; Zhengtao Xu; James C. Fettinger; Inorganic Chemistry 43 (2004) 8018–8022; doi:10.1021/ic048917c

data_4312157
_publ_section_title
;
 Fluorescent Coordination Networks of
 2,3,6,7,10,11-Hexakis(phenylthio)triphenylene and Silver(I) Triflate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8018
_journal_page_last               8022
_journal_paper_doi               10.1021/ic048917c
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C132 H96 Ag3 F9 O9 S15'
_chemical_formula_weight         2801.60
_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                78.8500(10)
_cell_angle_beta                 82.0680(10)
_cell_angle_gamma                76.8440(10)
_cell_formula_units_Z            2
_cell_length_a                   12.0810(5)
_cell_length_b                   16.5071(7)
_cell_length_c                   31.8966(13)
_cell_measurement_temperature    173(2)
_cell_volume                     6047.6(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            54849
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    0.813
_exptl_absorpt_correction_T_max  0.8974
_exptl_absorpt_correction_T_min  0.6899
_exptl_absorpt_correction_type   'Empirical, SADABS (multi-scan)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2844
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         3.342
_refine_diff_density_min         -0.811
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1588
_refine_ls_number_reflns         27670
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1057P)^2^+0.8885P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1553
_refine_ls_wR_factor_ref         0.1709
_reflns_number_gt                20227
_reflns_number_total             27670
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048917csi20041108_095203_1.cif
_cod_data_source_block           1
_cod_database_code               4312157