Crystallography Open Database

Information card for entry 7714761

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Coordinates	7714761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H48 Cu3 F36 Fe2 N4 O16
Calculated formula	C64 H48 Cu3 F36 Fe2 N4 O16
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	12.2065 ± 0.0012 Å
b	12.3811 ± 0.0012 Å
c	14.0205 ± 0.0013 Å
α	86.613 ± 0.005°
β	71.39 ± 0.005°
γ	83.519 ± 0.006°
Cell volume	1994.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1004
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	0.773
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.	7714761.cif
288424	2023-12-20	cif/ Adding structures of 7714760, 7714761, 7714762, 7714763, 7714764, 7714765, 7714766 via cif-deposit CGI script.	7714761.cif