Crystallography Open Database

Information card for entry 4349537

Preview

Coordinates	4349537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 Co K N2 O8
Calculated formula	C14 H6 Co K N2 O8
SMILES	c12C(O[Co]345([n]1c(ccc2)C(=O)O3)[n]1c(cccc1C(=O)O5)C(=O)O4)=O.[K+]
Title of publication	Anisotropic Li+ ion conductivity in a large single crystal of a Co(iii) coordination complex
Authors of publication	Kim, Saet Byeol; Kim, Jeung Yoon; Jeong, Nak Cheon; Ok, Kang Min
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	1
Pages of publication	79
a	6.9113 ± 0.001 Å
b	6.9113 ± 0.001 Å
c	28.4262 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1357.8 ± 0.3 Å³
Cell temperature	173 ± 0.2 K
Ambient diffraction temperature	173 ± 0.2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation probe	x-ray
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
234864 (current)	2019-11-23	cif/ Adding structures of 4349535, 4349536, 4349537, 4349538 via cif-deposit CGI script.	4349537.cif