Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties
Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri; RSC Advances 14 (2024) 32655–32660; doi:10.1039/D4RA06058J

data_7249467
_publ_section_title
;
 Stimuli-responsive Zn(ii) complexes showing the structural conversion and
 on/off switching of catalytic properties
;
_journal_issue                   44
_journal_name_full               'RSC Advances'
_journal_page_first              32655
_journal_page_last               32660
_journal_paper_doi               10.1039/D4RA06058J
_journal_volume                  14
_journal_year                    2024
_chemical_formula_moiety         'C52 H60 N12 O4 Zn2, 4(Cl O4), 2(C H4 O)'
_chemical_formula_sum            'C54 H68 Cl4 N12 O22 Zn2'
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2024-06-23 deposited with the CCDC.	2024-10-03 downloaded from the CCDC.
;
_cell_angle_alpha                81.710(2)
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_cell_measurement_temperature    173(2)
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_cell_volume                     3303.8(5)
_computing_cell_refinement       'Bruker APEX5 software'
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_computing_molecular_graphics    ORTEP
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_diffrn_measurement_device_type  'PHOTON II 14 CPAD detector'
_diffrn_measurement_method       'phi and omega scans'
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_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_description       block
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0404P)^2^+4.7450P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1334
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10268
_reflns_number_total             14416
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ra06058j2.cif
_cod_data_source_block           24001_002
_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 
;
_cod_database_code               7249467
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.925
_shelx_estimated_absorpt_t_max   0.965
_shelx_res_checksum              67598