Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode
Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji; CrystEngComm 25 (2023) 6096–6101; doi:10.1039/D3CE00886J

data_7247495
_publ_section_title
;
 Assembling silver(i) coordination polymers of an NS4-macrocycle via an
 endo/exocyclic coordination mode
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              6096
_journal_page_last               6101
_journal_paper_doi               10.1039/D3CE00886J
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety
'2(C20 H23 Ag2 F3 N O3 S5), 2(C1.50 H Cl F3 O3 S)'
_chemical_formula_sum            'C43 H48 Ag4 Cl2 F12 N2 O12 S12'
_chemical_formula_weight         1899.93
_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_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-08-23 deposited with the CCDC.	2023-10-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.300(2)
_cell_angle_gamma                90
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_cell_length_c                   24.9876(9)
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_cell_measurement_temperature    173(2)
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_cell_volume                     6182.9(4)
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_diffrn_measured_fraction_theta_full 1.000
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_coefficient_mu    1.834
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_description       Block
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_exptl_crystal_size_max          0.200
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6081
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0438
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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^)+(0.0444P)^2^+32.1724P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0921
_refine_ls_wR_factor_ref         0.0970
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5260
_reflns_number_total             6081
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ce00886j2.cif
_cod_data_source_block           aaa_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7247493--7247495.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
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_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              30556