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_1518340
_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
_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                96.315(3)
_cell_angle_beta                 93.979(3)
_cell_angle_gamma                90.279(3)
_cell_formula_units_Z            2
_cell_length_a                   6.0552(5)
_cell_length_b                   7.0297(6)
_cell_length_c                   15.9689(14)
_cell_measurement_reflns_used    6066
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.06
_cell_volume                     673.93(10)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0574
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5525
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.949
_exptl_absorpt_correction_T_max  0.667
_exptl_absorpt_correction_T_min  0.226
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.145
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             408.00
_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         5.160
_refine_diff_density_min         -2.800
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     172
_refine_ls_number_reflns         2516
_refine_ls_number_restraints     147
_refine_ls_R_factor_gt           0.0542
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0515P)^2^+12.1527P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1330
_reflns_number_gt                2369
_reflns_number_total             2516
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4sc02676d5.cif
_cod_data_source_block           SKR-423-after
_cod_depositor_comments
'Adding full bibliography for 1518339--1518340.cif.'
_cod_database_code               1518340