Crystallography Open Database

Information card for entry 7714763

Preview

Coordinates	7714763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 F12 Fe Mn N2 O6
Calculated formula	C27 H23 F12 Fe Mn N2 O6
Title of publication	Ferrocenyl-substituted nitronyl nitroxide in the design of one-dimensional magnets.
Authors of publication	Maryunina, Kseniya; Nigomedyanova, Daria; Morozov, Vitaly; Smirnova, Kristina; Letyagin, Gleb; Romanenko, Galina; Efimov, Nikolay; Bogomyakov, Artem; Ovcharenko, Victor
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1714 - 1721
a	14.3528 ± 0.0003 Å
b	15.6852 ± 0.0004 Å
c	14.5169 ± 0.0003 Å
α	90°
β	97.424 ± 0.002°
γ	90°
Cell volume	3240.74 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1112
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289503 (current)	2024-02-04	cif/ Updating files of 7714760, 7714761, 7714762, 7714763, 7714764, 7714765, 7714766 Original log message: Adding full bibliography for 7714760--7714766.cif.	7714763.cif
288424	2023-12-20	cif/ Adding structures of 7714760, 7714761, 7714762, 7714763, 7714764, 7714765, 7714766 via cif-deposit CGI script.	7714763.cif