Crystallography Open Database

Information card for entry 4000876

Preview

Coordinates	4000876.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Yb(C6H3(CO2)3)H2O
Formula	C9 H3 O7 Yb
Calculated formula	C9 H3 O7 Yb
Title of publication	A Family of Highly Stable Lanthanide Metal−Organic Frameworks: Structural Evolution and Catalytic Activity
Authors of publication	Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Martín-Matute, Belén; Sun, Junliang; Grins, Jekabs; Zhao, Tony; Li, Zhongyue; Zhu, Guangshan; Zou, Xiaodong
Journal of publication	Chemistry of Materials
Year of publication	2010
Journal volume	22
Journal issue	11
Pages of publication	3316
a	10.241 ± 0.0003 Å
b	10.241 ± 0.0003 Å
c	14.4026 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1510.52 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	91
Hermann-Mauguin space group symbol	P 41 2 2
Hall space group symbol	P 4w 2c
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.907 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4000876.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000876.cif
36542	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000876 via cif-deposit CGI script.	4000876.cif