A disulfur ligand stabilization approach to construct a silver(i)-cluster-based porous framework as a sensitive SERS substrate.
Wu, Tong; Yin, Di; Hu, Xun; Yang, Bo; Liu, Hong; Xie, Yun-Peng; Liu, Shi-Xi; Ma, Lulu; Gao, Guang-Gang; Nanoscale 11 (2019) 16293–16298; doi:10.1039/c9nr05301h

data_1552275
_publ_section_title
;
 A disulfur ligand stabilization approach to construct a
 silver(i)-cluster-based porous framework as a sensitive SERS substrate.
;
_journal_issue                   35
_journal_name_full               Nanoscale
_journal_page_first              16293
_journal_page_last               16298
_journal_paper_doi               10.1039/c9nr05301h
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C70 H132 Ag17 N14 S28'
_chemical_formula_weight         3901.36
_space_group_crystal_system      cubic
_space_group_IT_number           220
_space_group_name_Hall           'I -4bd 2c 3'
_space_group_name_H-M_alt        'I -4 3 d'
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc21cdb5
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2019-08-27 deposited with the CCDC.    2019-08-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   36.5504(7)
_cell_length_b                   36.5504(7)
_cell_length_c                   36.5504(7)
_cell_measurement_temperature    297(2)
_cell_volume                     48828.8(16)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.979
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21967
_diffrn_reflns_point_group_measured_fraction_full 0.939
_diffrn_reflns_point_group_measured_fraction_max 0.900
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.476
_diffrn_reflns_theta_min         2.961
_exptl_absorpt_coefficient_mu    19.596
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_F_000             22764
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.448
_refine_diff_density_rms         0.054
_refine_ls_abs_structure_details
;
 Flack x determined using 1824 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.004(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         7397
_refine_ls_number_restraints     300
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.062
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0467P)^2^+56.2992P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.1015
_reflns_Friedel_coverage         0.751
_reflns_Friedel_fraction_full    0.873
_reflns_Friedel_fraction_max     0.812
_reflns_number_gt                4927
_reflns_number_total             7397
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nr05301h2.cif
_cod_data_source_block           hy_sq
_cod_depositor_comments          'Adding full bibliography for 1552275.cif.'
_cod_original_cell_volume        48829(3)
_cod_database_code               1552275
_shelxl_version_number           2014-1
_shelx_res_checksum              15150