SMM behaviour in a {CoIII4CoII2DyIII2} complex: Co(II)-based thermal barrier and Dy(III) spectator role.
Martinez, Lara; Hunger, David; Cruz, Carlos; van Slageren, Joris; Paredes-García, Verónica; Alborés, Pablo; Dalton transactions (Cambridge, England : 2003) 54 (2025) 15107–15117; doi:10.1039/d5dt01689d

data_7719522
_publ_section_title
;
 SMM behaviour in a {CoIII4CoII2DyIII2} complex: Co(II)-based thermal
 barrier and Dy(III) spectator role.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15107
_journal_page_last               15117
_journal_paper_doi               10.1039/d5dt01689d
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C40 H74 Co6 Dy2 N12 O34'
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_audit_update_record
;
2025-05-27 deposited with the CCDC.	2025-09-18 downloaded from the CCDC.
;
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_diffrn_reflns_theta_min         3.368
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.95a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark violet'
_exptl_crystal_density_diffrn    1.947
_exptl_crystal_description       block
_exptl_crystal_F_000             964
_exptl_crystal_preparation       'Magnetic properties'
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_refine_ls_number_reflns         7121
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0143P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0837
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5107
_reflns_number_total             7121
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01689d2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7719522.cif.'
_cod_database_code               7719522
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_shelx_res_checksum              38730
_shelx_hkl_checksum              87612