Large magnetic anisotropy of Ni(II) polynuclear complexes confirmed by very unusual HFEPR spectra: relaxation behaviour of six-coordinate Ni(II) dimers.
Sawka, Jacek; Bieńko, Alina; Świtlicka, Anna; Penkala, Mateusz; Bieńko, Dariusz; Rajnák, Cyril; Titiš, Ján; Boča, Roman; Ozarowski, Andrew; Dalton transactions (Cambridge, England : 2003) 54 (2025) 13421–13425; doi:10.1039/d5dt01264c

data_7719348
_publ_section_title
;
 Large magnetic anisotropy of Ni(II) polynuclear complexes confirmed by
 very unusual HFEPR spectra: relaxation behaviour of six-coordinate Ni(II)
 dimers.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13421
_journal_page_last               13425
_journal_paper_doi               10.1039/d5dt01264c
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C22 H22 N22 Ni2 O2'
_chemical_formula_sum            'C22 H22 N22 Ni2 O2'
_chemical_formula_weight         744.03
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-01-21 deposited with the CCDC.	2025-07-29 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_measurement_theta_min      3.7070
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_computing_cell_refinement       'CrysAlis RED v. 1.163 (UNIL IC & KUMA 2000)'
_computing_data_collection       'CrysAlis CCD v. 1.163 (UNIL IC & KUMA 2000)'
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_computing_molecular_graphics
'Mercury (Macrae, J.Appl.Cryst. 41 (2008) 466-470'
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_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
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_diffrn_ambient_temperature      295(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction Gemini A Ultra'
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_diffrn_reflns_theta_max         25.048
_diffrn_reflns_theta_min         3.455
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_exptl_absorpt_correction_T_min  0.74973
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_exptl_absorpt_process_details   'Blessing, Acta Cryst. A51 (1995) 33-38'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0820P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           Ni21
_cod_depositor_comments
'Adding full bibliography for 7719348--7719349.cif.'
_cod_original_cell_volume        1478.60(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7719348
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