Crystallography Open Database

Information card for entry 4330218

Preview

Coordinates	4330218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cu F12 N2 O5
Calculated formula	C20 H18 Cu F12 N2 O5
Title of publication	Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in "Breathing Crystals"
Authors of publication	Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9385 - 9394
a	8.7041 ± 0.0003 Å
b	11.6233 ± 0.0004 Å
c	14.2736 ± 0.0005 Å
α	77.542 ± 0.002°
β	82.682 ± 0.002°
γ	71.711 ± 0.002°
Cell volume	1336.06 ± 0.08 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 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	0.0873
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	0.809
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
179405 (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 4/33/02.	4330218.cif
79469	2013-04-05	cif/ Adding structures of 4330218 via cif-deposit CGI script.	4330218.cif