Crystallography Open Database

Information card for entry 4349536

Preview

Coordinates	4349536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Co N2 Na O10
Calculated formula	C14 H10 Co N2 Na O10
SMILES	[Co]123(OC(=O)c4cccc(C(=O)O3)[n]14)OC(=O)c(ccc1)[n]2c1C(=O)[O-].[Na+].O.O
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	14.0209 ± 0.001 Å
b	9.5023 ± 0.001 Å
c	12.8892 ± 0.001 Å
α	90°
β	113.564 ± 0.01°
γ	90°
Cell volume	1574 ± 0.3 Å³
Cell temperature	173 ± 0.2 K
Ambient diffraction temperature	173 ± 0.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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.	4349536.cif