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_7233681
_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         'C13 H17 Au1 Cl1 N1 O1'
_chemical_formula_sum            'C13 H17 Au Cl N O'
_chemical_formula_weight         435.69
_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                 116.686(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.744(2)
_cell_length_b                   7.279(3)
_cell_length_c                   21.511(3)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    296
_cell_measurement_theta_max      13.84
_cell_measurement_theta_min      9.41
_cell_volume                     2902.1(13)
_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 0.947
_diffrn_measured_fraction_theta_max 0.947
_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     1.54184
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            6660
_diffrn_reflns_theta_full        70.11
_diffrn_reflns_theta_max         70.11
_diffrn_reflns_theta_min         4.27
_diffrn_standards_decay_%        8.67
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    20.619
_exptl_absorpt_correction_T_max  0.4158
_exptl_absorpt_correction_T_min  0.0532
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.994
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.69
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.472
_refine_diff_density_min         -1.709
_refine_diff_density_rms         0.167
_refine_ls_extinction_coef       0.00075(4)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         5222
_refine_ls_number_restraints     275
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0722P)^2^+5.7276P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1252
_reflns_number_gt                4283
_reflns_number_total             5222
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            1000002.cif
_cod_data_source_block           PCOD1000002
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C13 H17 Au1 Cl1 N1 O1'
_cod_database_code               7233681