Crystallography Open Database

Information card for entry 7060921

Preview

Coordinates	7060921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Fe N4 P2
Calculated formula	C14 H12 Fe N4 P2
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	9.7557 ± 0.0004 Å
b	12.9751 ± 0.0005 Å
c	13.2097 ± 0.0006 Å
α	65.892 ± 0.002°
β	70.324 ± 0.002°
γ	72.391 ± 0.002°
Cell volume	1410.41 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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