Crystallography Open Database

Information card for entry 4502218

Preview

Coordinates	4502218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N2 O11.5 Zn2
Calculated formula	C22 H15 N2 O11.5 Zn2
Title of publication	Construction of Metal−Organic Frameworks with Tetranuclear Metal Clusters: Hydrothermal Synthesis, Structure, and Magnetic Properties
Authors of publication	Wang, Guan-Hua; Lei, Yong-Qian; Wang, Ning; He, Ren-Ling; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	2
Pages of publication	534
a	9.8401 ± 0.0011 Å
b	11.0617 ± 0.0013 Å
c	13.5307 ± 0.0016 Å
α	66.181 ± 0.002°
β	85.823 ± 0.002°
γ	69.89 ± 0.002°
Cell volume	1261.5 ± 0.3 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 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	0.1022
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.162
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4502218.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502218.cif
36294	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502218 via cif-deposit CGI script.	4502218.cif