Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds
Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime; Chem. Sci. 6 (2015) 1491–; doi:10.1039/C4SC02676D

data_1518339
_publ_section_title
;
 Photoinduced single-crystal-to-single-crystal phase transition and
 photosalient effect of a gold(i) isocyanide complex with shortening of
 intermolecular aurophilic bonds
;
_journal_issue                   2
_journal_name_full               'Chem. Sci.'
_journal_page_first              1491
_journal_paper_doi               10.1039/C4SC02676D
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         'C15 H12 Au N O2'
_chemical_formula_sum            'C15 H12 Au N O2'
_chemical_formula_weight         435.23
_chemical_properties_physical    Photo-sensitive
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_update_record
;
2014-09-01 deposited with the CCDC.
2014-11-27 downloaded from the CCDC.
;
_cell_angle_alpha                102.912(5)
_cell_angle_beta                 92.025(5)
_cell_angle_gamma                100.595(5)
_cell_formula_units_Z            4
_cell_length_a                   7.3807(12)
_cell_length_b                   11.755(2)
_cell_length_c                   15.940(3)
_cell_measurement_reflns_used    5905
_cell_measurement_temperature    123
_cell_measurement_theta_max      25.38
_cell_measurement_theta_min      3.01
_cell_volume                     1320.8(4)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.1301
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10450
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.173
_exptl_absorpt_correction_T_max  0.661
_exptl_absorpt_correction_T_min  0.392
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.189
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             816.00
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.171
_exptl_crystal_size_mid          0.115
_exptl_crystal_size_min          0.037
_refine_diff_density_max         2.440
_refine_diff_density_min         -3.780
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4756
_refine_ls_number_restraints     278
_refine_ls_R_factor_gt           0.0867
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0834P)^2^+23.4996P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2496
_reflns_number_gt                2624
_reflns_number_total             4756
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4sc02676d5.cif
_cod_data_source_block           SKR-423
_cod_depositor_comments
'Adding full bibliography for 1518339--1518340.cif.'
_cod_database_code               1518339