Crystallography Open Database

Information card for entry 4502217

Preview

Coordinates	4502217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21.8 Co2 N2 O10.9
Calculated formula	C22 H16 Co2 N2 O10.9
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	9.8385 ± 0.0011 Å
b	11.0629 ± 0.0013 Å
c	13.5398 ± 0.0016 Å
α	66.61 ± 0.002°
β	85.898 ± 0.002°
γ	69.717 ± 0.002°
Cell volume	1265 ± 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	0.1046
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1688
Weighted residual factors for all reflections included in the refinement	0.1889
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4502217.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502217.cif
36293	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502217 via cif-deposit CGI script.	4502217.cif