Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) showing two different metal coordination polyhedra.
Näther, Christian; Jess, Inke; Acta crystallographica. Section E, Crystallographic communications 80 (2024) 174–179; doi:10.1107/S2056989024000471

data_2312400
_publ_section_title
;
 Synthesis and crystal structure of
 diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II)
 and diiso-thio-cyanato-tris-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II)
 showing two different metal coordination polyhedra.
;
_journal_coeditor_code           HB8092
_journal_issue                   'Pt 2'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              174
_journal_page_last               179
_journal_paper_doi               10.1107/S2056989024000471
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          '[Co (N C S)2 (C6 H7 N1 O1)3]'
_chemical_formula_moiety         'C20 H21 Co N5 O3 S2'
_chemical_formula_sum            'C20 H21 Co N5 O3 S2'
_chemical_formula_weight         502.47
_chemical_name_systematic
;
Tris(4-methylpyridine
<i>N</i>-oxide-\k<i>O</i>)bis(thiocyanato-\k<i>N</i>)cobalt(II)
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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;
Olex2 1.3-ac4
(compiled 2020.11.27 svn.r5f609507 for Rigaku Oxford Diffraction, GUI svn.r6214)
;
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;
CrysAlis PRO (Rigaku OD, 2021)
;
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CrysAlis PRO (Rigaku OD, 2021)
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CrysAlis PRO (Rigaku OD, 2021)
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DIAMOND (Brandenburg & Putz, 1999)
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publCIF (Westrip, 2010)
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SHELXL2016 (Sheldrick, 2015a)
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SHELXT2014 (Sheldrick, 2015b)
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;
(CrysAlis PRO; Rigaku OD, 2021)
;
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_refine_diff_density_min         -0.247
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_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0450P)^2^+0.8076P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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