Crystallography Open Database

Information card for entry 4000875

Preview

Coordinates	4000875.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Nd(C6H3(CO2)3)
Formula	C9 H3 Nd O6
Calculated formula	C9 H3 Nd O6
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	10.452 ± 0.0002 Å
b	10.452 ± 0.0002 Å
c	13.8486 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1512.88 ± 0.11 Å³
Cell temperature	453 ± 2 K
Ambient diffraction temperature	453 ± 2 K
Number of distinct elements	4
Space group number	95
Hermann-Mauguin space group symbol	P 43 2 2
Hall space group symbol	P 4cw 2c
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000875.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000875.cif
36541	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000875 via cif-deposit CGI script.	4000875.cif