Crystal structures of two Co(NCS)~2~ urotropine coordination compounds with different Co coordinations
Krebs, Christoph; Jess, Inke; Näther, Christian; Acta Crystallographica Section E 78 (2022) –; doi:10.1107/S2056989022001037

data_2244031
_publ_section_title
;
 Crystal structures of two Co(NCS)~2~ urotropine coordination compounds
 with different Co coordinations
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2056989022001037
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          '[Co (N C S)2 (C6 H12 N4) (C2 H6 O)3]'
_chemical_formula_moiety         'C14 H30 Co N6 O3 S2'
_chemical_formula_sum            'C14 H30 Co N6 O3 S2'
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_chemical_name_systematic
Tris(ethanol-\k<i>O</i>)(hexamethylenetetramine-\k<i>N</i>)bis(thiocyanato-\k<i>N</i>)cobalt(II)
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Olex2 1.3-ac4
(compiled 2020.03.28 svn.rd84adfe8 for Rigaku Oxford Diffraction, GUI svn.r6032)
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CrysAlisPro (Rigaku OD, 2021)
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CrysAlisPro (Rigaku OD, 2021)
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CrysAlisPro (Rigaku OD, 2021)
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<i>OLEX2</i> (Dolomanov et al., 2009)
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<i>SHELXL2016/6</i> (Sheldrick, 2015b)
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<i>SHELXT2014/4</i> (Sheldrick, 2015a)
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;
(CrysAlisPro; Rigaku OD, 2021)
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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SHELXL2016/6 (Sheldrick 2015b)
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0403P)^2^+0.8765P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0678
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