Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.
Thomas, Jarrod R.; Sulway, Scott A.; Acta crystallographica. Section C, Structural chemistry 80 (2024) –; doi:10.1107/S2053229624003115

data_2312473
_publ_section_title
;
 Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand
 in high-coordinate lanthanide complexes.
;
_journal_coeditor_code           UX3004
_journal_issue                   5
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi               10.1107/S2053229624003115
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac
'[Dy (C21 H16 B1 N6 O3)2] (C24 H20 B), 2C H2 Cl2'
_chemical_formula_moiety         'C42 H32 B2 Dy N12 O6 +, C24 H20 B -, C H2 Cl2'
_chemical_formula_sum            'C67 H54 B3 Cl2 Dy N12 O6'
_chemical_formula_weight         1389.05
_chemical_name_systematic
;
Bis{hydrotris[3-(furan-2-yl)pyrazol-1-yl]borato}dysprosium(III)
tetraphenylborate dichloromethane monosolvate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
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;
SAINT (Bruker, 2019)
;
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APEX3 (Bruker, 2019)
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SAINT (Bruker, 2019)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL2019 (Sheldrick, 2015<i>b</i>)
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;
SHELXT2014 (Sheldrick, 2015<i>a</i>)
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;
(SADABS; Bruker, 2016)
;
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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^)+(0.0233P)^2^+13.8441P] where P=(Fo^2^+2Fc^2^)/3'
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