Crystallography Open Database

Information card for entry 7245059

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Coordinates	7245059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H8.5 Fe N11.5
Calculated formula	C13 H8.5 Fe N11.5
Title of publication	Topological motifs in dicyanamides of transition metals
Authors of publication	Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima
Journal of publication	CrystEngComm
Year of publication	2022
a	25.0011 ± 0.0007 Å
b	15.7369 ± 0.0005 Å
c	8.9768 ± 0.0003 Å
α	90°
β	93.853 ± 0.001°
γ	90°
Cell volume	3523.85 ± 0.19 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0882
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1475
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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