Crystallography Open Database

Information card for entry 7006470

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Coordinates	7006470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 Cu4 Fe3 I4 N12
Calculated formula	C54 H42 Cu4 Fe3 I4 N12
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	13.156 ± 0.007 Å
b	15.38 ± 0.009 Å
c	7.529 ± 0.002 Å
α	93.94 ± 0.03°
β	101.77 ± 0.03°
γ	113.09 ± 0.05°
Cell volume	1353.1 ± 1.3 Å³
Cell temperature	296.1 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 significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.2191
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	7006470.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006470.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006470.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006470.cif