Crystallography Open Database

Information card for entry 4339130

Preview

Coordinates	4339130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 Cu F12 N4 O6
Calculated formula	C22 H21 Cu F12 N4 O6
Title of publication	Thermally induced spin transitions in nitroxide-copper(II)-nitroxide spin triads studied by EPR.
Authors of publication	Fedin, Matvey; Veber, Sergey; Gromov, Igor; Maryunina, Ksenia; Fokin, Sergey; Romanenko, Galina; Sagdeev, Renad; Ovcharenko, Victor; Bagryanskaya, Elena
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11405 - 11415
a	29.66 ± 0.006 Å
b	9.4899 ± 0.0019 Å
c	24.52 ± 0.005 Å
α	90°
β	121.91 ± 0.03°
γ	90°
Cell volume	5859 ± 3 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	6
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	0.0542
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179494 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91.	4339130.cif
117159	2014-06-14	cif/ Adding structures of 4339128, 4339129, 4339130, 4339131, 4339132, 4339133, 4339134, 4339135, 4339136, 4339137, 4339138, 4339139, 4339140, 4339141, 4339142, 4339143, 4339144, 4339145 via cif-deposit CGI script.	4339130.cif