Crystallography Open Database

Information card for entry 4514445

Preview

Coordinates	4514445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H13 N3 Ni O5
Calculated formula	C20 H13 N3 Ni O5
Title of publication	Formation of One-Dimensional Coordination Chains for High-Performance Anode Materials of Lithium-Ion Batteries via a Bottom-Up Approach.
Authors of publication	Du, Jia; Li, Yong; Liu, Hongwen; Shi, Wei; Moskaleva, Lyudmila V.; Cheng, Peng
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	29
Pages of publication	25863 - 25869
a	7.2177 ± 0.0004 Å
b	10.8688 ± 0.0004 Å
c	22.4117 ± 0.0009 Å
α	90°
β	96.123 ± 0.004°
γ	90°
Cell volume	1748.12 ± 0.14 Å³
Cell temperature	120 ± 10 K
Ambient diffraction temperature	120 ± 10 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	0.833
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
219634 (current)	2019-10-28	cif/ Adding structures of 4514445 via cif-deposit CGI script.	4514445.cif