Crystallography Open Database

Information card for entry 4339136

Preview

Coordinates	4339136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 Cu F12 N4 O6
Calculated formula	C23 H23 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	30.114 ± 0.006 Å
b	9.6665 ± 0.0019 Å
c	25.594 ± 0.005 Å
α	90°
β	126.81 ± 0.03°
γ	90°
Cell volume	5965 ± 3 Å³
Cell temperature	175 ± 2 K
Ambient diffraction temperature	175 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4339136.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.	4339136.cif