From thiophosphate to chalcohalide: mixed-anion AgS<sub>x</sub>Cl<sub>y</sub> ligands concurrently enhancing nonlinear optical effects and laser-damage threshold.
Gao, Lihua; Chu, Yu; Wu, Xiaowen; Zhang, Bingbing; Wu, Kui; Chemical communications (Cambridge, England) 57 (2021) 8218–8221; doi:10.1039/d1cc02656a

data_7128629
_publ_section_title
;
 From thiophosphate to chalcohalide: mixed-anion
 AgS<sub>x</sub>Cl<sub>y</sub> ligands concurrently enhancing nonlinear
 optical effects and laser-damage threshold.
;
_journal_issue                   66
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8218
_journal_page_last               8221
_journal_paper_doi               10.1039/d1cc02656a
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'Ag5 Cl2 P S4'
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_space_group_name_Hall           'A 2 -2'
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_atom_sites_solution_hydrogens   none
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-07-03 deposited with the CCDC.	2021-07-08 downloaded from the CCDC.
;
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.07(19)
_refine_ls_extinction_coef       0.0019(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
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_refine_ls_hydrogen_treatment    none
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_refine_ls_R_factor_all          0.0623
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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^)+(0.1102P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1515
_refine_ls_wR_factor_ref         0.1697
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_reflns_number_gt                427
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_cod_data_source_file            d1cc02656a2.cif
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_cod_depositor_comments          'Adding full bibliography for 7128629.cif.'
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_shelx_res_checksum              70406
_shelx_hkl_checksum              42929