Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.
Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime; Journal of the American Chemical Society 140 (2018) 2875–2879; doi:10.1021/jacs.7b12455

data_4131889
_publ_section_title
;
 Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse
 Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of
 the Luminescence Color.
;
_journal_issue                   8
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2875
_journal_page_last               2879
_journal_paper_doi               10.1021/jacs.7b12455
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C24 H15 Au F3 N'
_chemical_formula_sum            'C24 H15 Au F3 N'
_chemical_formula_weight         571.35
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                87.967(2)
_cell_angle_beta                 81.741(2)
_cell_angle_gamma                82.7141(19)
_cell_formula_units_Z            2
_cell_length_a                   8.7264(6)
_cell_length_b                   9.3243(6)
_cell_length_c                   11.9764(9)
_cell_measurement_reflns_used    8654
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      3.04
_cell_volume                     956.45(12)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1002
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9332
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.035
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.755
_exptl_absorpt_correction_T_max  0.460
_exptl_absorpt_correction_T_min  0.031
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.984
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             544.00
_exptl_crystal_size_max          0.674
_exptl_crystal_size_mid          0.473
_exptl_crystal_size_min          0.100
_refine_diff_density_max         4.80
_refine_diff_density_min         -5.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4347
_refine_ls_number_restraints     25
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0746
_refine_ls_shift/su_max          0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1121P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1792
_refine_ls_wR_factor_ref         0.1899
_reflns_number_gt                3895
_reflns_number_total             4347
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja7b12455_si_002.cif
_cod_data_source_block           3O
_cod_original_cell_volume        956.45(11)
_cod_database_code               4131889