Crystallography Open Database

Information card for entry 4338935

Preview

Coordinates	4338935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 Cu2 F24 N6 O12
Calculated formula	C48 H44 Cu2 F24 N6 O12
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	12.5519 ± 0.0005 Å
b	16.0139 ± 0.0007 Å
c	30.1852 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6067.4 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1025
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	0.913
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.	4338935.cif
117012	2014-06-14	cif/ Adding structures of 4338927, 4338928, 4338929, 4338930, 4338931, 4338932, 4338933, 4338934, 4338935 via cif-deposit CGI script.	4338935.cif