Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence
Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime; Chem. Sci. 6 (2015) 2187–; doi:10.1039/C4SC03960B

data_1518590
_publ_section_title
;
 Interconvertible multiple photoluminescence color of a gold(i) isocyanide
 complex in the solid state: solvent-induced blue-shifted and
 mechano-responsive red-shifted photoluminescence
;
_journal_issue                   4
_journal_name_full               'Chem. Sci.'
_journal_page_first              2187
_journal_paper_doi               10.1039/C4SC03960B
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         'C18 H4 Au2 F8 N4, C3 H6 O, C3 H6 O'
_chemical_formula_sum            'C24 H16 Au2 F8 N4 O2'
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_chemical_name_common            Au_B
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2014-11-25 deposited with the CCDC.
2015-01-21 downloaded from the CCDC.
;
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_cell_measurement_temperature    173(2)
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_cell_volume                     667.23(13)
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_computing_data_reduction        RAPID-AUTO
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
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_diffrn_ambient_pressure         101.3
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_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'RIGAKU R-AXIS RAPID'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
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_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6546
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         27.464
_diffrn_reflns_theta_min         3.032
_diffrn_source                   'rotating anode x-ray'
_diffrn_source_type              RIGAKU
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'abscor T.Higashi RIGAKU'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.335
_exptl_crystal_description       needle
_exptl_crystal_F_000             434
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.060
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_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.596
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3042
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0137P)^2^+6.4019P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1055
_refine_ls_wR_factor_ref         0.1165
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2573
_reflns_number_total             3042
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4sc03960b2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 1518590--1518592.cif.'
_cod_database_code               1518590
_shelx_estimated_absorpt_t_min   0.556
_shelx_estimated_absorpt_t_max   0.897
_shelxl_version_number           2014-1
_shelx_res_checksum              90521
_shelx_hkl_checksum              25754