Information card for entry 4120358

Structure parameters

• Formula: C18 H9 F18 Mn Na O7
• Calculated formula: C18 H9 F18 Mn Na O7
• SMILES: C(F)(F)(F)C1=[O][Mn]23(OC(=C1)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O2)C(F)(F)F.[Na+].CC(=O)C
• Title of publication: Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials
• Authors of publication: Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12216 - 12219
• a: 11.707 ± 0.0013 Å
• b: 38.76 ± 0.005 Å
• c: 12.0119 ± 0.0014 Å
• α: 90°
• β: 102.729 ± 0.001°
• γ: 90°
• Cell volume: 5316.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No