Information card for entry 4120363

Structure parameters

• Formula: C33 H12 F36 Mn2 Na2 O13
• Calculated formula: C33 H12 F36 Mn2 Na2 O13
• SMILES: [Mn]12345[O]=C(C=C([O]1[Na]16([O]3C(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([O]5C(=CC(=[O]4)C(F)(F)F)C(F)(F)F)[O]2[Mn]3457[O]([Na]([O]4C(=CC(=[O]13)C(F)(F)F)C(F)(F)F)([O]7=C(C=C([O]65)C(F)(F)F)C(F)(F)F)[O]=C(C)C)=C(C=C2C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• 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: 11.823 ± 0.004 Å
• b: 12.025 ± 0.004 Å
• c: 19.053 ± 0.006 Å
• α: 75.447 ± 0.004°
• β: 72.426 ± 0.003°
• γ: 75.84 ± 0.003°
• Cell volume: 2457.4 ± 1.4 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: 0.1206
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No