Crystallography Open Database

Information card for entry 7231488

Preview

Coordinates	7231488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Co N O6.5
Calculated formula	C14 H9 Co N O5
Title of publication	A novel metal‒organic framework based on hexanuclear Co(ii) clusters as an anode material for lithium-ion batteries
Authors of publication	He, Yuan-Chun; Yu, Yang; Wang, Lingyan; Yang, Jiaqin; Kan, Wei-Qiu; Yang, Yan; Fan, Yao-Yao; Jing, Zhihong; You, Jinmao
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	37
Pages of publication	5576
a	18.1126 ± 0.0009 Å
b	18.1126 ± 0.0009 Å
c	46.624 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	13246.5 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
228907 (current)	2019-11-17	cif/ Updating files of 7231488 Original log message: Adding full bibliography for 7231488.cif.	7231488.cif
210446	2018-09-05	cif/ Adding structures of 7231488 via cif-deposit CGI script.	7231488.cif