Crystallography Open Database

Information card for entry 4336986

Preview

Coordinates	4336986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 Cu F24 K2 O8
Calculated formula	C12 H6 Cu F24 K2 O8
Title of publication	Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes
Authors of publication	Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14050 - 14063
a	20.38 ± 0.007 Å
b	11.21 ± 0.003 Å
c	10.697 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2443.8 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4336986.cif
103051	2014-02-25	cif/ Adding structures of 4336986 via cif-deposit CGI script.	4336986.cif