How metal ions link in metal-organic frameworks: dots, rods, sheets, and 3D secondary building units exemplified by a Y(III) 4,4'-oxydibenzoate.
Dazem, Cyrielle L. F.; Ruser, Niklas; Svensson Grape, Erik; Inge, A. Ken; Proserpio, Davide M.; Stock, Norbert; Öhrström, Lars; Dalton transactions (Cambridge, England : 2003) 54 (2025) 5659–5663; doi:10.1039/d5dt00271k

data_7718283
_publ_section_title
;
 How metal ions link in metal-organic frameworks: dots, rods, sheets, and
 3D secondary building units exemplified by a Y(III) 4,4'-oxydibenzoate.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5659
_journal_page_last               5663
_journal_paper_doi               10.1039/d5dt00271k
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C292 H188 N4 O113 Y16'
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_audit_update_record
;
2023-02-07 deposited with the CCDC.	2025-03-04 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      297(2)
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_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           CuK\a
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Sheldrick, G. M. (1996). SADABS. University of G\~A?ttingen, Germany.'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       prism
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.008(19)
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0446P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1067
_refine_ls_wR_factor_ref         0.1214
_reflns_Friedel_coverage         0.974
_reflns_Friedel_fraction_full    0.969
_reflns_Friedel_fraction_max     0.969
_reflns_number_gt                15557
_reflns_number_total             21077
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt00271k2.cif
_cod_data_source_block           YOBA
_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 7718283.cif.
;
_cod_original_cell_volume        31634.6(15)
_cod_database_code               7718283
_shelx_shelxl_version_number     2018/1
_shelx_res_checksum              4538
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_shelx_fab_checksum              44685