Decanuclear Gold(I) Sulfido Pseudopolymorphs Displaying Stimuli-Responsive RGBY Luminescence Changes
Chu, Anlea; Hau, Franky Ka-Wah; Yao, Liao-Yuan; Yam, Vivian Wing-Wah; ACS Materials Letters 1 (2019) 277–; doi:10.1021/acsmaterialslett.9b00175

data_4515198
_publ_section_title
;
 Decanuclear Gold(I) Sulfido Pseudopolymorphs Displaying
 Stimuli-Responsive RGBY Luminescence Changes
;
_journal_issue                   2
_journal_name_full               'ACS Materials Letters'
_journal_page_first              277
_journal_paper_doi               10.1021/acsmaterialslett.9b00175
_journal_volume                  1
_journal_year                    2019
_chemical_formula_moiety
'C120 H104 Au10 N8 P8 S4, 2(F6 P), 4(C H2 Cl2)'
_chemical_formula_sum            'C124 H112 Au10 Cl8 F12 N8 P10 S4'
_chemical_formula_weight         4633.42
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.82(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.326(4)
_cell_length_b                   24.028(5)
_cell_length_c                   30.005(6)
_cell_measurement_reflns_used    270884
_cell_measurement_temperature    194(2)
_cell_measurement_theta_max      29.99
_cell_measurement_theta_min      0.41
_cell_volume                     13926(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      194(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'mar CCD'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.71990
_diffrn_reflns_av_R_equivalents  0.1058
_diffrn_reflns_av_sigmaI/netI    0.0950
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            69891
_diffrn_reflns_theta_full        29.90
_diffrn_reflns_theta_max         29.90
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    10.884
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.210
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             8640
_refine_diff_density_max         3.061
_refine_diff_density_min         -6.979
_refine_diff_density_rms         0.324
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1561
_refine_ls_number_reflns         38564
_refine_ls_number_restraints     245
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.061
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1099P)^2^+75.3501P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1856
_refine_ls_wR_factor_ref         0.1970
_reflns_number_gt                32604
_reflns_number_total             38564
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            tz9b00175_si_002.cif
_cod_data_source_block           anlea-t7-blue
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4515198