Information card for entry 1560726

Structure parameters

• Chemical name: bis(N,N-dimetylformamide)-perchlorato sodium
• Formula: C6 H14 Cl N2 Na O6
• Calculated formula: C6 H14 Cl N2 Na O6
• SMILES: Cl(=O)(=O)(=O)[O-].[Na+].O=CN(C)C.O=CN(C)C
• Title of publication: Solvate sponge crystals of (DMF)3NaClO4: reversible pressure/temperature controlled juicing in a melt/press-castable sodium-ion conductor
• Authors of publication: Prakash, Prabhat; Ardhra, Shylendran; Fall, Birane; Zdilla, Michael J.; Wunder, Stephanie L.; Venkatnathan, Arun
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 5574 - 5581
• a: 9.1493 ± 0.0014 Å
• b: 10.1833 ± 0.0015 Å
• c: 13.22 ± 0.002 Å
• α: 90°
• β: 108.244 ± 0.003°
• γ: 90°
• Cell volume: 1169.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No