Crystallography Open Database

Information card for entry 7245981

Preview

Coordinates	7245981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Cl4 Fe N O
Calculated formula	C7 H12 Cl4 Fe N O
Title of publication	Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions
Authors of publication	González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	4
Pages of publication	579 - 592
a	6.445 Å
b	14.509 Å
c	13.037 Å
α	90°
β	97.96°
γ	90°
Cell volume	1207.35 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
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	0.0422
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.293
Diffraction radiation wavelength	1.45567 Å
Diffraction radiation type	neutrons
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281427 (current)	2023-03-04	cif/ Updating files of 7245980, 7245981, 7245982 Original log message: Adding full bibliography for 7245980--7245982.cif.	7245981.cif
279790	2022-12-08	cif/ Adding structures of 7245980, 7245981, 7245982 via cif-deposit CGI script.	7245981.cif