Crystallography Open Database

Information card for entry 4501747

Preview

Coordinates	4501747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 Co0.5 N2 O2
Calculated formula	C9 H9 Co0.5 N2 O2
Title of publication	Conformational Isomerism of 1,2-Bis(imidazol-1′-yl)ethane Affected by the Orientation of Functional Carboxylate Groups in Cadmium and Cobalt Helical Coordination Polymers
Authors of publication	Li, Xiaoju; Weng, Xiulan; Tang, Ruijie; Lin, Yuanmiao; Ke, Zhilong; Zhou, Wenbiao; Cao, Rong
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	3228
a	17.64 ± 0.006 Å
b	7.753 ± 0.003 Å
c	13.367 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1828.1 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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.	4501747.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501747.cif
36079	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501747 via cif-deposit CGI script.	4501747.cif