Crystallography Open Database

Information card for entry 2242026

2242025 << 2242026 >> 2242027

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Structure parameters

Chemical name	Bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)
Formula	C20 H26 Fe N8 O2
Calculated formula	C20 H26 Fe N8 O2
SMILES	C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.c1cc[n+](cc1)CC.[OH3+].c1cc[n+](cc1)CC.[OH3+]
Title of publication	Crystal structure of bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)
Authors of publication	Tanaka, Rikako; Matsushita, Nobuyuki
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	2
Pages of publication	219 - 222
a	11.8807 ± 0.0004 Å
b	12.1279 ± 0.0007 Å
c	8.3962 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1209.79 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
190795 (current)	2017-01-21	cif/ hkl/ Adding structures of 2242026 via cif-deposit CGI script.	2242026.cif 2242026.hkl