Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.
Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel; Dalton transactions (Cambridge, England : 2003) 49 (2020) 17709–17718; doi:10.1039/d0dt03370g

data_7705807
_publ_section_title
;
 Control of magnetic anisotropy by macrocyclic ligand distortion in a
 family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17709
_journal_page_last               17718
_journal_paper_doi               10.1039/d0dt03370g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         '2(C29 H18 Dy N9 S3), C2 H3 N'
_chemical_formula_sum            'C60 H39 Dy2 N19 S6'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-18 deposited with the CCDC.	2020-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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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^)+(0.0445P)^2^+7.9102P] 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_depositor_comments
'Adding full bibliography for 7705804--7705809.cif.'
_cod_original_cell_volume        3259.1(9)
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_shelx_res_checksum              72373