Crystallography Open Database

Information card for entry 4338934

Preview

Coordinates	4338934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cu F12 N3 O6
Calculated formula	C24 H22 Cu F12 N3 O6
Title of publication	New spin-transition-like copper(II)-nitroxide species.
Authors of publication	Hirel, Catherine; Li, Licun; Brough, Peter; Vostrikova, Kira; Pécaut, Jacques; Mehdaoui, Boubker; Bernard, Maxime; Turek, Philippe; Rey, Paul
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	18
Pages of publication	7545 - 7552
a	15.797 ± 0.002 Å
b	12.5865 ± 0.0019 Å
c	15.829 ± 0.002 Å
α	90°
β	105.516 ± 0.003°
γ	90°
Cell volume	3032.6 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1601
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	0.879
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
179492 (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 4/33/89.	4338934.cif
117012	2014-06-14	cif/ Adding structures of 4338927, 4338928, 4338929, 4338930, 4338931, 4338932, 4338933, 4338934, 4338935 via cif-deposit CGI script.	4338934.cif