Cd-driven surface reconstruction and photodynamics in gold nanoclusters
Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan; Chemical Science 12 (2021) 3290–3294; doi:10.1039/D0SC05163B

data_1559955
_publ_section_title
;
 Cd-driven surface reconstruction and photodynamics in gold nanoclusters
;
_journal_issue                   9
_journal_name_full               'Chemical Science'
_journal_page_first              3290
_journal_page_last               3294
_journal_paper_doi               10.1039/D0SC05163B
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'C224 H252 Au44 S28'
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_space_group_name_Hall           '-R 3 2"c'
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-08-08 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_coefficient_mu    20.874
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_exptl_absorpt_correction_T_min  0.0856
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_F_000             99360
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0744P)^2^+5929.5830P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1309
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                23024
_reflns_number_total             35644
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0sc05163b2.cif
_cod_data_source_block           11_a_sq
_cod_depositor_comments
'Adding full bibliography for 1559955--1559956.cif.'
_cod_original_cell_volume        140008(14)
_cod_database_code               1559955
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              55011
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