Designed synthesis of size-tunable Ag2S nanoclusters via distinguishable C-S bond cleavage reaction of alkyl- and aryl-thiolates.
Chen, Hang-Qing; He, Xin; Guo, Hui; Fu, Nan-Yan; Zhao, Liang; Dalton transactions (Cambridge, England : 2003) 44 (2015) 3963–3966; doi:10.1039/c4dt04021j

data_7033787
_publ_section_title
;
 Designed synthesis of size-tunable Ag2S nanoclusters via distinguishable
 C-S bond cleavage reaction of alkyl- and aryl-thiolates.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3963
_journal_page_last               3966
_journal_paper_doi               10.1039/c4dt04021j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C99 H104 Ag6 Cl2 F12 N24 O16.5 S6'
_chemical_formula_weight         3032.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-11-24 deposited with the CCDC.
2015-01-22 downloaded from the CCDC.
;
_cell_angle_alpha                114.53(3)
_cell_angle_beta                 92.62(3)
_cell_angle_gamma                99.60(3)
_cell_formula_units_Z            2
_cell_length_a                   16.734(3)
_cell_length_b                   18.644(4)
_cell_length_c                   22.013(4)
_cell_measurement_reflns_used    20737
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.7380
_cell_measurement_theta_min      1.0253
_cell_volume                     6110(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_sigmaI/netI    0.0823
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            57273
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    1.176
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.2003
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             3036
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.756
_refine_diff_density_min         -2.286
_refine_diff_density_rms         0.246
_refine_ls_extinction_coef       0.0039(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1551
_refine_ls_number_reflns         21447
_refine_ls_number_restraints     88
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.1221
_refine_ls_R_factor_gt           0.1132
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1476P)^2^+93.2691P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3048
_refine_ls_wR_factor_ref         0.3142
_reflns_number_gt                18901
_reflns_number_total             21447
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt04021j2.cif
_cod_data_source_block           Complex3
_cod_depositor_comments
'Adding full bibliography for 7033787--7033788.cif.'
_cod_original_cell_volume        6109(2)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C99 H104 Ag6 Cl2 F12 N24 O16.50 S6'
_cod_database_code               7033787