Ammonium halide selective ion pair recognition and extraction with a chalcogen bonding heteroditopic receptor.
Docker, Andrew; Tse, Yuen Cheong; Tay, Hui Min; Zhang, Zongyao; Beer, Paul D.; Dalton transactions (Cambridge, England : 2003) 53 (2024) 11141–11146; doi:10.1039/d4dt01376j

data_7716332
_publ_section_title
;
 Ammonium halide selective ion pair recognition and extraction with a
 chalcogen bonding heteroditopic receptor.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11141
_journal_page_last               11146
_journal_paper_doi               10.1039/d4dt01376j
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C54 H49 Br Cl12 F10 N8 O12 Te2'
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_audit_update_record
;
2022-03-02 deposited with the CCDC.	2024-06-06 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      150(2)
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_diffrn_measurement_method       '\w scans'
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.41.81a (Rigaku Oxford Diffraction, 2020) 
Spherical absorption correction 
using equivalent radius and absorption coefficient. 
Empirical absorption correction using spherical harmonics, 
implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            yellow
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_refine_ls_restrained_S_all      0.862
_refine_ls_R_factor_all          0.0658
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_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^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1837
_refine_ls_wR_factor_ref         0.2026
_reflns_Friedel_coverage         0.000
_reflns_number_gt                29329
_reflns_number_total             34679
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01376j2.cif
_cod_data_source_block           001zy21_sq
_cod_depositor_comments          'Adding full bibliography for 7716332.cif.'
_cod_database_code               7716332
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.105
_shelx_estimated_absorpt_t_max   0.105
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_shelx_hkl_checksum              62450
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