Crystallography Open Database

Information card for entry 2240573

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Structure parameters

Chemical name	Bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)
Formula	C18 H28 Mn N6 O2 S2
Calculated formula	C18 H28 Mn N6 O2 S2
SMILES	C(=N[Mn]([n]1ccc(cc1)N(C)C)([OH]C)(N=C=S)([n]1ccc(cc1)N(C)C)[OH]C)=S
Title of publication	Crystal structure of bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)
Authors of publication	Suckert, Stefan; Jess, Inke; Näther, Christian
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	5
Pages of publication	m126
a	7.0771 ± 0.0007 Å
b	8.1586 ± 0.0008 Å
c	10.6491 ± 0.001 Å
α	76.381 ± 0.011°
β	81.672 ± 0.011°
γ	79.809 ± 0.011°
Cell volume	584.72 ± 0.1 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181905 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05	2240573.cif 2240573.hkl
136128	2015-05-12	cif/ hkl/ Adding structures of 2240573 via cif-deposit CGI script.	2240573.cif 2240573.hkl