Crystallography Open Database

Information card for entry 7012631

Preview

Coordinates	7012631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.5 H20 Fe0.5 N3 O1.5 P
Calculated formula	C22 H20 Fe0.5 N3 O P
Title of publication	Nanoclusters of phenylphosphonium cations and cyanoferrate anions in the gas phase, and the principles of association of these ions in crystals
Authors of publication	Dean, Philip A. W.; Fisher, Keith; Craig, Don; Jennings, Michael; Ohene-Fianko, Ohenewa; Scudder, Marcia; Willett, Gary; Dance, Ian
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	8
Pages of publication	1520
a	9.805 ± 0.006 Å
b	12.026 ± 0.003 Å
c	17.229 ± 0.011 Å
α	90°
β	90.27 ± 0.03°
γ	90°
Cell volume	2031.5 ± 1.9 Å³
Cell temperature	294 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.85
Diffraction radiation wavelength	0.71073 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.	7012631.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012631.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012631.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012631.cif