Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes
Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi; Journal of Materials Chemistry C 2 (2014) 3549–3555; doi:10.1039/C3TC31973C

data_7233680
_publ_section_title
;
 Reversible thermal-mode control of luminescence from liquid-crystalline
 gold(I) complexes
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              3549
_journal_page_last               3555
_journal_paper_doi               10.1039/C3TC31973C
_journal_volume                  2
_journal_year                    2014
_chemical_formula_moiety         'C12 H15 Au1 Cl1 N1 O1'
_chemical_formula_sum            'C12 H15 Au Cl N O'
_chemical_formula_weight         421.67
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 106.796(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.307(3)
_cell_length_b                   5.912(2)
_cell_length_c                   15.3931(17)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      13.83
_cell_measurement_theta_min      9.29
_cell_volume                     1333.6(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software
 (Molecular Structure Corporation, 1992)
;
_computing_data_reduction
'CrystalStructure (Molecular Structure Corporation & Rigaku, 2001)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measurement_device_type  'Rigaku AFC-5R diffractometer'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3221
_diffrn_reflns_theta_full        70.07
_diffrn_reflns_theta_max         70.07
_diffrn_reflns_theta_min         3
_diffrn_standards_decay_%        1.00
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    22.406
_exptl_absorpt_correction_T_max  0.5410
_exptl_absorpt_correction_T_min  0.0719
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.1
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.927
_refine_diff_density_min         -0.664
_refine_diff_density_rms         0.137
_refine_ls_extinction_coef       0.00197(10)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     165
_refine_ls_number_reflns         2383
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0366P)^2^+5.0376P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0932
_reflns_number_gt                1942
_reflns_number_total             2383
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            1000001.cif
_cod_data_source_block           PCOD1000001
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C12 H15 Au1 Cl1 N1 O1'
_cod_database_code               7233680