Crystallography Open Database

Information card for entry 4500513

Preview

Coordinates	4500513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Co O5
Calculated formula	C14 H10 Co O5
Title of publication	Metal‒Organic Frameworks with Achiral/Monochiral Nano-Channels
Authors of publication	Yi, Xiao-Yi; Fang, Hua-Cai; Gu, Zhi-Gang; Zhou, Zheng-Yuan; Cai, Yue-Peng; Tian, Jian; Thallapally, Praveen K.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	2824
a	7.3847 ± 0.0017 Å
b	15.339 ± 0.004 Å
c	23.11 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2617.8 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1513
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
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.	4500513.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500513.cif
34525	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500513 via cif-deposit CGI script.	4500513.cif