Crystallography Open Database

Information card for entry 4073194

Preview

Coordinates	4073194.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	6.946 ± 0.0014 Å
b	9.8 ± 0.002 Å
c	9.6527 ± 0.0019 Å
α	90°
β	106.26 ± 0.03°
γ	90°
Cell volume	630.8 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0637
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for all reflections	0.0742
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	0.9384
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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