Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.
Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.; Chemical science 16 (2025) 18278–18285; doi:10.1039/d5sc02951a

data_1575267
_publ_section_title
;
 Tuning the surface chemistry of NHC-protected Au<sub>13</sub>
 nanoclusters <i>via</i> a robust amide coupling procedure.
;
_journal_issue                   39
_journal_name_full               'Chemical science'
_journal_page_first              18278
_journal_page_last               18285
_journal_paper_doi               10.1039/d5sc02951a
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C46 H48 Au F6 N4 O8 P'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-04-17 deposited with the CCDC.	2025-07-31 downloaded from the CCDC.
;
_cell_angle_alpha                83.405(2)
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_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  Bruker_D8_Venture
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_exptl_absorpt_correction_type   numerical_from_formula
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_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
_exptl_crystal_F_000             564
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_refine_ls_R_factor_all          0.0471
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0335P)^2^+2.0576P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.0878
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7537
_reflns_number_total             7792
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5sc02951a2.cif
_cod_data_source_block           mo_20221115Dibenzoateimidazole
_cod_depositor_comments
'Adding full bibliography for 1575265--1575268.cif.'
_cod_database_code               1575267
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.537
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_shelx_res_checksum              48815