Crystallography Open Database

Information card for entry 1516397

Preview

Coordinates	1516397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 O9 Tb
Calculated formula	C6 H6 O9 Tb
Title of publication	Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks.
Authors of publication	Rodrigues, Marcelo O.; Paz, Filipe A Almeida; Freire, Ricardo O.; de Sá, Gilberto F; Galembeck, André; Montenegro, Maria C. B. S. M.; Araújo, Alberto N; Alves, S.
Journal of publication	The journal of physical chemistry. B
Year of publication	2009
Journal volume	113
Journal issue	36
Pages of publication	12181 - 12188
a	13.341 ± 0.0003 Å
b	6.5718 ± 0.0001 Å
c	10.0912 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	884.74 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0126
Residual factor for significantly intense reflections	0.0119
Weighted residual factors for significantly intense reflections	0.0274
Weighted residual factors for all reflections included in the refinement	0.0277
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516397.cif
114836	2014-05-29	cif/ Adding structures of 1516397 via cif-deposit CGI script.	1516397.cif