On the photocatalysis evolution of heteroatom-doped Ag4M2 nanoclusters
Cheng, Xinglian; Sui, Xin; Xu, Jiayu; Liu, Xu; Chen, Mingyang; Zhu, Yan; RSC Advances 11 (2021) 32526–32532; doi:10.1039/D1RA06388J

data_7243680
_publ_section_title
;
 On the photocatalysis evolution of heteroatom-doped Ag4M2 nanoclusters
;
_journal_issue                   52
_journal_name_full               'RSC Advances'
_journal_page_first              32526
_journal_page_last               32532
_journal_paper_doi               10.1039/D1RA06388J
_journal_volume                  11
_journal_year                    2021
_chemical_formula_sum            'C160 H176 Ag8 O12 Pt4 S16'
_chemical_formula_weight         4447.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc25twgc
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-08-03 deposited with the CCDC.	2021-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.493(12)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.125(3)
_cell_length_b                   26.995(5)
_cell_length_c                   21.902(5)
_cell_measurement_temperature    293(2)
_cell_volume                     7169(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0696
_diffrn_reflns_av_unetI/netI     0.0381
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            50749
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.480
_diffrn_reflns_theta_min         2.395
_exptl_absorpt_coefficient_mu    5.249
_exptl_crystal_density_diffrn    2.060
_exptl_crystal_F_000             4352
_refine_diff_density_max         1.078
_refine_diff_density_min         -0.677
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         7379
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.178
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0180P)^2^+48.4583P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0520
_refine_ls_wR_factor_ref         0.0590
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_reflns_number_gt                5691
_reflns_number_total             7379
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ra06388j2.cif
_cod_data_source_block           mo_ZhuAgPt_0m
_cod_original_cell_volume        7168(3)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7243680
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              74113