Crystallography Open Database

Information card for entry 7060925

Preview

Coordinates	7060925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Fe N2 O
Calculated formula	C14 H16 Fe N2 O
Title of publication	Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes
Authors of publication	Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	38
Pages of publication	18171 - 18182
a	16.3414 ± 0.0011 Å
b	7.8369 ± 0.0005 Å
c	19.833 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2539.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7060925.html