Crystallography Open Database

Information card for entry 4500509

Preview

Coordinates	4500509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 Na O9 Zn
Calculated formula	C9 H9.08 Na O9.04 Zn
Title of publication	Syntheses, Structures, and Structural Transformations of Mixed Na(I) and Zn(II) Metal‒Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands
Authors of publication	Fu, Ying; Su, Jie; Yang, Sihai; Zou, Zhibo; Li, Guobao; Liao, Fuhui; Xiong, Ming; Lin, Jianhua
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2243
a	9.6721 ± 0.0019 Å
b	9.6817 ± 0.0019 Å
c	7.7419 ± 0.0015 Å
α	99.39 ± 0.03°
β	104.54 ± 0.03°
γ	60.72 ± 0.03°
Cell volume	611.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.2192
Weighted residual factors for all reflections included in the refinement	0.23
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179536 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/05.	4500509.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500509.cif
34524	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500509, 4500510, 4500511, 4500512 via cif-deposit CGI script.	4500509.cif