Crystallography Open Database

Information card for entry 4111938

4111937 << 4111938 >> 4111939

Preview

Coordinates	4111938.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tb(BTB)(H2O), 2(C6H11OH)
Chemical name	aqua-Terbium(III) trisbenzoate, cyclohexanol solvate
Formula	C39 H39 O9 Tb
Calculated formula	C39 H39 O9 Tb
Title of publication	MIL-103, A 3-D Lanthanide-Based Metal Organic Framework with Large One-Dimensional Tunnels and A High Surface Area
Authors of publication	Thomas Devic; Christian Serre; Nathalie Audebrand; Jérôme Marrot; Gérard Férey
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	12788 - 12789
a	28.5344 ± 0.0008 Å
b	28.5344 ± 0.0008 Å
c	12.2148 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	8613 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
178890 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/19.	4111938.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111938.cif
63553	2012-08-03	cif/ Adding structures of 4111938 via cif-deposit CGI script.	4111938.cif