Acetate exchange mechanism on a Zr<sub>12</sub> oxo hydroxo cluster: relevance for reshaping Zr-carboxylate coordination adaptable networks.
Murali, Meenu; Bijani, Christian; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo; Chemical science 14 (2023) 8152–8163; doi:10.1039/d3sc02204h

data_1569432
_publ_section_title
;
 Acetate exchange mechanism on a Zr<sub>12</sub> oxo hydroxo cluster:
 relevance for reshaping Zr-carboxylate coordination adaptable networks.
;
_journal_issue                   30
_journal_name_full               'Chemical science'
_journal_page_first              8152
_journal_page_last               8163
_journal_paper_doi               10.1039/d3sc02204h
_journal_volume                  14
_journal_year                    2023
_chemical_formula_sum            'C28 H50 O37 Zr6'
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_audit_update_record
;
2023-04-02 deposited with the CCDC.	2023-07-04 downloaded from the CCDC.
;
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'CrysAlisPro  (Rigaku Oxford Diffraction, 2018)'
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'ORTEPIII (Burnett & Johnson, 1996); ORTEP-3 for Windows (Farrugia, 1997)'
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_diffrn_source                   'micro-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.41.120a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0728P)^2^+2.7927P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3sc02204h2.cif
_cod_data_source_block           '[Zr6O4(OH)4(O2CMe)12]2'
_cod_depositor_comments          'Adding full bibliography for 1569432.cif.'
_cod_original_cell_volume        3100.64(6)
_cod_database_code               1569432
_shelx_estimated_absorpt_t_min   0.475
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_shelx_res_checksum              47169
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