Crystallography Open Database

Information card for entry 7060926

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Coordinates	7060926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Fe N2
Calculated formula	C12 H14 Fe N2
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	28.021 ± 0.002 Å
b	7.3169 ± 0.0005 Å
c	10.7673 ± 0.0008 Å
α	90°
β	101.809 ± 0.002°
γ	90°
Cell volume	2160.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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