Complex isomerism influencing the textural properties of organometallic [Cu(salen)] porous polymers: paramagnetic solid-state NMR characterization and heterogeneous catalysis.
Šorm, David; Blahut, Jan; Bashta, Bogdana; Císařová, Ivana; Vrbková, Eva; Vyskočilová, Eliška; Sedláček, Jan; Dalton transactions (Cambridge, England : 2003) 53 (2024) 12162–12175; doi:10.1039/d4dt01305k

data_7716459
_publ_section_title
;
 Complex isomerism influencing the textural properties of organometallic
 [Cu(salen)] porous polymers: paramagnetic solid-state NMR
 characterization and heterogeneous catalysis.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12162
_journal_page_last               12175
_journal_paper_doi               10.1039/d4dt01305k
_journal_volume                  53
_journal_year                    2024
_chemical_compound_source        'synthesized by the authors'
_chemical_formula_moiety         'C24 H20 Cu N2 O2'
_chemical_formula_sum            'C24 H20 Cu N2 O2'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-02-20 deposited with the CCDC.	2024-06-25 downloaded from the CCDC.
;
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_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      120(2)
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_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo PHOTONIII CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Helios Cu  multilayer optic'
_diffrn_radiation_type           CuK\a
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_diffrn_source                   'I\mS  micro-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.805
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_crystal_colour            green
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_exptl_crystal_size_mid          0.098
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_refine_ls_extinction_method     none
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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^)+(0.0433P)^2^+1.8964P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
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_reflns_number_gt                3854
_reflns_number_total             4036
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01305k2.cif
_cod_data_source_block           cu_ds_262_sedlacek
_cod_depositor_comments
'Adding full bibliography for 7716458--7716459.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7716459
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.660
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_shelx_res_checksum              1395
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