Photoluminescent properties of liquid crystalline gold(I) isocyanide complexes with a rod-like molecular structure
Kaori Fujisawa; Naoya Kawakami; Yusuke Onishi; Yuichi Izumi; Sho Tamai; Nana Sugimoto; Osamu Tsutsumi; Journal of Materials Chemistry C 1 (2013) 5359–5366; doi:10.1039/C3TC31105H

data_7233487
_publ_section_title
;
 Photoluminescent properties of liquid crystalline gold(I) isocyanide
 complexes with a rod-like molecular structure
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              5359
_journal_page_last               5366
_journal_paper_doi               10.1039/C3TC31105H
_journal_volume                  1
_journal_year                    2013
_chemical_formula_moiety         'C19 H26 Au N O'
_chemical_formula_sum            'C19 H26 Au N O'
_chemical_formula_weight         481.39
_space_group_IT_number           2
_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'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                86.966(6)
_cell_angle_beta                 80.202(6)
_cell_angle_gamma                69.316(5)
_cell_formula_units_Z            2
_cell_length_a                   7.7081(9)
_cell_length_b                   8.6036(9)
_cell_length_c                   15.1979(18)
_cell_measurement_reflns_used    6590
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.09
_cell_volume                     929.14(19)
_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    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0524
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8961
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.48
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.946
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             468.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.540
_refine_diff_density_min         -1.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     263
_refine_ls_number_reflns         4229
_refine_ls_number_restraints     195
_refine_ls_R_factor_gt           0.0585
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0884P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1741
_reflns_number_gt                2872
_reflns_number_total             4229
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            1000001.cif
_cod_data_source_block           PCOD1000001
_cod_database_code               7233487