Crystallography Open Database

Information card for entry 1550037

Preview

Coordinates	1550037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H95 Co0.5 Li Mn1.5 O10
Calculated formula	C55 H95 Co0.5 Li Mn1.5 O10
Title of publication	Three to Tango Requires a Site-Specific Substitution: Heterotrimetallic Molecular Precursors for High-Voltage Rechargeable Batteries
Authors of publication	Han, Haixiang; Wei, Zheng; Filatov, Alexander S.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Shevtsov, Andrey; Abakumov, Artem; Pak, Chongin; Shatruk, Michael; Chen, Yu-Sheng; Dikarev, Evgeny V.
Journal of publication	Chemical Science
Year of publication	2019
a	11.5679 ± 0.0004 Å
b	20.2647 ± 0.0006 Å
c	27.742 ± 0.0007 Å
α	68.6974 ± 0.0007°
β	88.552 ± 0.0008°
γ	80.5081 ± 0.0008°
Cell volume	5971.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211475 (current)	2018-10-17	cif/ Adding structures of 1550036, 1550037 via cif-deposit CGI script.	1550037.cif