Information card for entry 4120362

Structure parameters

• Formula: C15 H3 F18 Na Ni O6
• Calculated formula: C15 H3 F18 Na Ni O6
• SMILES: C1=C(C(F)(F)F)O[Ni]23([O]=C(C=C(C(F)(F)F)O3)C(F)(F)F)([O]=C(C=C(C(F)(F)F)O2)C(F)(F)F)[O]=C1C(F)(F)F.[Na+]
• 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: 17.884 ± 0.004 Å
• b: 17.884 ± 0.004 Å
• c: 12.391 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3432.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No