Crystallography Open Database

Information card for entry 4347427

Preview

Coordinates	4347427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 Cu2 F24 N8 O12
Calculated formula	C46 H46 Cu2 F24 N8 O12
Title of publication	A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.
Authors of publication	Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	12
Pages of publication	5853 - 5861
a	14.4659 ± 0.0004 Å
b	14.7776 ± 0.0005 Å
c	15.2281 ± 0.0005 Å
α	81.525 ± 0.002°
β	66.418 ± 0.002°
γ	82.14 ± 0.002°
Cell volume	2940.01 ± 0.17 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1132
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	0.859
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232311 (current)	2019-11-23	cif/ Adding structures of 4347417, 4347418, 4347419, 4347420, 4347421, 4347422, 4347423, 4347424, 4347425, 4347426, 4347427, 4347428, 4347429 via cif-deposit CGI script.	4347427.cif