Controlled packing of metal-peptide superhelices with β-peptide foldamers.
Han, Ingyu; Lee, Ha-Jin; Choi, Soo Hyuk; Organic & biomolecular chemistry 24 (2026) 1600–1604; doi:10.1039/d6ob00111d

data_7160970
_publ_section_title
;
 Controlled packing of metal-peptide superhelices with &#x3b2;-peptide
 foldamers.
;
_journal_issue                   8
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              1600
_journal_page_last               1604
_journal_paper_doi               10.1039/d6ob00111d
_journal_volume                  24
_journal_year                    2026
_chemical_absolute_configuration ad
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_chemical_formula_sum            'C70 H96 Ag2 N12 O9'
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_atom_sites_solution_primary     direct
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_audit_update_record
;
2025-12-09 deposited with the CCDC.	2026-02-02 downloaded from the CCDC.
;
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_computing_structure_solution    'Bruker SHELXTL'
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_diffrn_measurement_device_type  'PHOTON III M14'
_diffrn_measurement_method       '\f and \w scans'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
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_exptl_crystal_density_diffrn    1.118
_exptl_crystal_description       block
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_refine_ls_abs_structure_details
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.13(2)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1105
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0812P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1638
_refine_ls_wR_factor_ref         0.1889
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                26715
_reflns_number_total             42367
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6ob00111d2.cif
_cod_data_source_block           HIG-II-56_1_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7160968--7160971.cif.
;
_cod_original_cell_volume        4353(6)
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_shelx_res_checksum              84665
_shelx_fab_checksum              9711