Crystallography Open Database

Information card for entry 4500876

Preview

Coordinates	4500876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9.5 Cd0.75 Na1.5 O9.25
Calculated formula	C9 H9.5 Cd0.75 Na1.5 O9.25
Title of publication	Syntheses, Structures, and Gas Adsorption Properties of Two Novel Cadmium‒Sodium Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands
Authors of publication	Fu, Ying; Su, Jie; Zou, Zhibo; Yang, Sihai; Li, Guobao; Liao, Fuhui; Lin, Jianhua
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	8
Pages of publication	3529
a	13.873 ± 0.0014 Å
b	13.873 ± 0.0014 Å
c	13.812 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2658.3 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2023
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
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.	4500876.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500876.cif
34664	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500876, 4500877 via cif-deposit CGI script.	4500876.cif