Crystallography Open Database

Information card for entry 7006471

Preview

Coordinates	7006471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Fe N4
Calculated formula	C18 H14 Fe N4
SMILES	[Fe]12345678([c]9(c%10nccnc%10)[cH]1[cH]2[cH]3[cH]49)[c]1([cH]8[cH]7[cH]6[cH]51)c1nccnc1
Title of publication	Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.
Authors of publication	Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	5
Pages of publication	693 - 704
a	9.384 ± 0.003 Å
b	11.056 ± 0.004 Å
c	27.821 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	2886.4 ± 1.7 Å³
Cell temperature	296 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.7107 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.	7006471.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006471.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006471.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006471.cif