A novel fluorene-based aggregation-induced emission (AIE)-active gold(I) complex with crystallization-induced emission enhancement (CIEE) and reversible mechanochromism characteristics
Zhao Chen; Jing Zhang; Min Song; Jun Yin; Guang-AoYu; Sheng Hua Liu; Chem.Commun. 51 (2015) 326–; doi:10.1039/C4cc08087D

data_7116366
_publ_section_title
;
 A novel fluorene-based aggregation-induced emission (AIE)-active gold(I)
 complex with crystallization-induced emission enhancement (CIEE) and
 reversible mechanochromism characteristics
;
_journal_name_full               Chem.Commun.
_journal_page_first              326
_journal_paper_doi               10.1039/C4cc08087D
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C39 H32 Au2 F10 N2'
_chemical_formula_weight         1112.60
_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                99.282(2)
_cell_angle_beta                 107.229(2)
_cell_angle_gamma                100.920(2)
_cell_formula_units_Z            2
_cell_length_a                   12.3529(19)
_cell_length_b                   12.613(2)
_cell_length_c                   12.950(2)
_cell_measurement_reflns_used    9202
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      31.48
_cell_measurement_theta_min      2.66
_cell_volume                     1840.7(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w 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  0.0468
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11843
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.043
_exptl_absorpt_correction_T_max  0.5001
_exptl_absorpt_correction_T_min  0.4453
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    2.007
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.642
_refine_diff_density_min         -4.113
_refine_diff_density_rms         0.354
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     480
_refine_ls_number_reflns         6339
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0839
_refine_ls_R_factor_gt           0.0733
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1841P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2189
_refine_ls_wR_factor_ref         0.2359
_reflns_number_gt                5182
_reflns_number_total             6339
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc08087d2.cif
_cod_data_source_block           e:\140221d\work\mo_140221d_0m
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7116366