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_7705804
_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         'C21 H18 Dy N9 S3'
_chemical_formula_sum            'C21 H18 Dy N9 S3'
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_space_group_crystal_system      triclinic
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-18 deposited with the CCDC.	2020-11-24 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SMART'
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0336
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_diffrn_reflns_theta_full        25.242
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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^)+(0.0114P)^2^+0.9458P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4572
_reflns_number_total             4817
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7705804--7705809.cif.'
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