Crystallography Open Database

Information card for entry 4502219

Preview

Coordinates	4502219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18.4 Co2 N2 O10.2
Calculated formula	C20 H16 Co2 N2 O10.2
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	9.8886 ± 0.0019 Å
b	11.102 ± 0.002 Å
c	11.914 ± 0.002 Å
α	64.317 ± 0.003°
β	78.159 ± 0.003°
γ	68.485 ± 0.003°
Cell volume	1094.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1049
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.189
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4502219.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502219.cif
36295	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502219 via cif-deposit CGI script.	4502219.cif