Crystallography Open Database

Information card for entry 7024716

Preview

Coordinates	7024716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H43 F N Ni O6 S10
Calculated formula	C32 H43 F N Ni O6 S10
SMILES	[Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.Fc1cccc([NH3+])c1.O1CCOCCO[C@H]2CCCC[C@H]2OCCOCCO[C@H]2CCCC[C@@H]12
Title of publication	Ferromagnetic coupling of [Ni(dmit)2]- anions in (m-fluoroanilinium)(dicyclohexano[18]crown-6)[Ni(dmit)2].
Authors of publication	Akutagawa, Tomoyuki; Sato, Daisuke; Ye, Qiong; Noro, Shin-ichiro; Nakamura, Takayoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	9
Pages of publication	2191 - 2193
a	12.399 ± 0.0006 Å
b	12.5367 ± 0.0005 Å
c	14.1216 ± 0.0006 Å
α	95.4297 ± 0.0012°
β	104.757 ± 0.0014°
γ	104.561 ± 0.0013°
Cell volume	2024.78 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7024716.cif
92651	2014-01-12	cif/ Adding structures of 7024715, 7024716 via cif-deposit CGI script.	7024716.cif