A mixed strategy to fabricate two bifunctional ligand-based Ag-complexes with high proton conductivity
Wang, Shuyu; Zhao, Lijia; Fang, Fang; Wang, Lei; Zhang, Zhen; Zhang, Suoshu; Du, Lin; Zhao, Qi-Hua; New Journal of Chemistry 46 (2022) 21054–21064; doi:10.1039/D2NJ03890K

data_7061902
_publ_section_title
;
 A mixed strategy to fabricate two bifunctional ligand-based Ag-complexes
 with high proton conductivity
;
_journal_issue                   44
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              21054
_journal_page_last               21064
_journal_paper_doi               10.1039/D2NJ03890K
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C36 H26 Ag2 N6 O6 S2'
_chemical_formula_sum            'C36 H26 Ag2 N6 O6 S2'
_chemical_formula_weight         918.49
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_atom_sites_solution_primary     dual
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Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
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_audit_update_record
;
2022-07-30 deposited with the CCDC.	2022-09-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_wavelength     0.71073
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_goodness_of_fit_ref   1.056
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0128P)^2^+5.5215P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0655
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_reflns_number_total             6641
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7061901--7061902.cif.'
_cod_database_code               7061902
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 N6(H6a,H6b), N5(H5a,H5b)
2.b Aromatic/amide H refined with riding coordinates:
 C35(H35), C26(H26), C30(H30), C29(H29), C33(H33), C32(H32), C24(H24),
 C13(H13), C15(H15), C18(H18), C1(H1), C23(H23), C19(H19), C22(H22), C14(H14),
 C2(H2), C11(H11), C10(H10), C12(H12), C3(H3), C7(H7), C6(H6)
;
_shelx_res_checksum              51138
_olex2_submission_special_instructions 'No special instructions were received'