Acid/base responsive assembly/dis-assembly of a family of zirconium(IV) clusters with a cyclic imide-dioxime ligand.
Passadis, Stamatis S.; Hadjithoma, Sofia; Papanikolaou, Michael G.; Keramidas, Anastasios D.; Miras, Haralampos N.; Kabanos, Themistoklis A.; Dalton transactions (Cambridge, England : 2003) 51 (2022) 1806–1818; doi:10.1039/d1dt03641f

data_7709176
_publ_section_title
;
 Acid/base responsive assembly/dis-assembly of a family of zirconium(IV)
 clusters with a cyclic imide-dioxime ligand.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1806
_journal_page_last               1818
_journal_paper_doi               10.1039/d1dt03641f
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety
'2(C42.93 H56 Cl1.20 K3.20 N24 O28.97 Zr5), 9(Cl0.10), 8(O0.50),'
_chemical_formula_sum            'C85.85 H112 Cl9.6 K8.6 N48 O69.94 Zr10'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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_audit_update_record
;
2021-12-20 deposited with the CCDC.	2021-12-24 downloaded from the CCDC.
;
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_cell_measurement_temperature    150(2)
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_cell_volume                     8545(4)
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_refine_ls_restrained_S_all      1.022
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0486P)^2^+47.5533P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1508
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10689
_reflns_number_total             16786
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt03641f2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7709175--7709176.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C85.85 H112 Cl9.60 K8.60 N48 O69.94 Zr10'
_cod_database_code               7709176
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.819
_shelx_estimated_absorpt_t_max   0.859
_shelx_res_checksum              86801