Information card for entry 1550037

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 ų
• 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 Fobs: No