Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates
Venter, Chané; Akerman, Matthew P.; CrystEngComm 23 (2021) 1294–1304; doi:10.1039/D0CE01610A

data_7242040
_publ_section_title
;
 Pre-organisation of ligand donor sets modulates the supramolecular
 structure of bis(pyridyl--imine) silver(i) chelates
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1294
_journal_page_last               1304
_journal_paper_doi               10.1039/D0CE01610A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C36 H28 Ag2 N8, 2(F6 Sb)'
_chemical_formula_sum            'C36 H28 Ag2 F12 N8 Sb2'
_chemical_formula_weight         1259.92
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-09-23 deposited with the CCDC.	2021-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.447(3)
_cell_angle_gamma                90
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_cell_volume                     3979.5(5)
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\w and \f-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Incoatec microsource'
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_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_theta_max         29.065
_diffrn_reflns_theta_min         1.808
_exptl_absorpt_coefficient_mu    2.409
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6622
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker 2012'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.103
_exptl_crystal_description       needle
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_exptl_crystal_size_max          0.110
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_refine_diff_density_max         0.585
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5303
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0245
_refine_ls_R_factor_gt           0.0223
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0164P)^2^+7.6221P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0479
_refine_ls_wR_factor_ref         0.0492
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4950
_reflns_number_total             5303
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ce01610a2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7242038--7242041.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7242040
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.778
_shelx_estimated_absorpt_t_max   0.910
_shelx_res_checksum              22874