Luminescent cyclic trinuclear coinage metal complexes with aggregation-induced emission (AIE) performance.
Tian, Yuan; Wang, Zhao-Yang; Zang, Shuang-Quan; Li, Dan; Mak, Thomas C. W.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 2275–2279; doi:10.1039/c8dt04898c

data_7048520
_publ_section_title
;
 Luminescent cyclic trinuclear coinage metal complexes with
 aggregation-induced emission (AIE) performance.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2275
_journal_page_last               2279
_journal_paper_doi               10.1039/c8dt04898c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C96 H81 Au3 N6'
_chemical_formula_weight         1909.56
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-01-05 deposited with the CCDC.
2019-01-10 downloaded from the CCDC.
;
_cell_angle_alpha                72.855(2)
_cell_angle_beta                 87.796(3)
_cell_angle_gamma                76.607(4)
_cell_formula_units_Z            2
_cell_length_a                   9.1649(5)
_cell_length_b                   17.6824(5)
_cell_length_c                   29.9758(5)
_cell_measurement_reflns_used    13990
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_cell_measurement_theta_max      72.7300
_cell_measurement_theta_min      2.6550
_cell_volume                     4513.4(3)
_computing_cell_refinement       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
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_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
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_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0776
_diffrn_reflns_av_unetI/netI     0.0918
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.930
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_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            36330
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.930
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.666
_diffrn_reflns_theta_min         2.677
_diffrn_source                   'fine-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
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_exptl_crystal_size_mid          0.05
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_refine_diff_density_min         -1.496
_refine_diff_density_rms         0.194
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_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.960
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_refine_ls_R_factor_gt           0.0753
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.1448P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1986
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                11582
_reflns_number_total             16957
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7048520--7048522.cif.'
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_platon_squeeze_void_probe_radius 1.20