Crystallography Open Database

Information card for entry 4073192

Preview

Coordinates	4073192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H9 Fe N3
Calculated formula	C15 H9 Fe N3
Title of publication	Mercury-Free Preparation, Characterization, and Molecular Structure of Tricyanovinylferrocene Using an Unusual Reaction between Ferrocene and Tetracyanoethylene
Authors of publication	Nemykin, Victor N.; Maximov, Alexander Y.; Koposov, Alexey Y.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	13
Pages of publication	3138
a	9.688 ± 0.002 Å
b	9.907 ± 0.003 Å
c	6.989 ± 0.002 Å
α	90°
β	106.35 ± 0.02°
γ	90°
Cell volume	643.7 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for all reflections	0.0666
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4073192.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073192.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073192.cif
46211	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073192 via cif-deposit CGI script.	4073192.cif