Crystallography Open Database

Information card for entry 4338931

Preview

Coordinates	4338931.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	11.607 ± 0.003 Å
b	12.788 ± 0.003 Å
c	16.149 ± 0.004 Å
α	72.035 ± 0.004°
β	82.396 ± 0.004°
γ	83.896 ± 0.004°
Cell volume	2254.6 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0737
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4338931.cif
117012	2014-06-14	cif/ Adding structures of 4338927, 4338928, 4338929, 4338930, 4338931, 4338932, 4338933, 4338934, 4338935 via cif-deposit CGI script.	4338931.cif