Crystallography Open Database

Information card for entry 4338933

Preview

Coordinates	4338933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H22 Cu2 F24 N3 O10
Calculated formula	C33 H22 Cu2 F24 N3 O10
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	15.405 ± 0.003 Å
b	21.21 ± 0.004 Å
c	15.444 ± 0.003 Å
α	90°
β	112.63 ± 0.03°
γ	90°
Cell volume	4657.7 ± 1.9 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	0.1442
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.21
Weighted residual factors for all reflections included in the refinement	0.2681
Goodness-of-fit parameter for all reflections included in the refinement	0.878
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.	4338933.cif
117012	2014-06-14	cif/ Adding structures of 4338927, 4338928, 4338929, 4338930, 4338931, 4338932, 4338933, 4338934, 4338935 via cif-deposit CGI script.	4338933.cif