Information card for entry 7058508

Structure parameters

• Formula: N2 Na7 O67 V19
• Calculated formula: N2 Na7 O67 V19
• SMILES: NN.[O]12[V]34[O]5[V]678(=O)[O]9[V]%10%11(=O)[O]%12[V]%13%141(=O)[O]1[V]%15%16(=O)[O]%13[V]%13%17(=O)[O]%16[V]%16%18(O4)(=O)[O]%15[V]421(=O)[O]%11[V]19(=O)[O]8[V]2([O]%18[V]89([O]%11[V]%15([O]%17[V]%17%18([O]%13[V]%13%19(O3)([O]%14[V]3%12([O]%10[V]%10([O]%133)([O]3[V]([O]%17%19)([O]%15%18)(=O)[O]%12[V]3(=O)([O]6[V]5%11%12([O]29)=O)[O]7%10)=O)=O)=O)=O)(=O)[O]%168)=O)([O]41)=O.[Na+].O.[Na+].O.O.[Na+].O.O.O.O.O.[Na+].O.O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O
• Title of publication: A fully reduced {V18IVO42} host and VO43‒, Cl‒ as guest anions: synthesis, characterization and proton conductivity
• Authors of publication: Mulkapuri, Sateesh; Kurapati, Sathish Kumar; Mukhopadhyay, Subhabrata -; Das, Samar K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• a: 20.7093 ± 0.0014 Å
• b: 15.2374 ± 0.0009 Å
• c: 19.1923 ± 0.0011 Å
• α: 90°
• β: 97.834 ± 0.003°
• γ: 90°
• Cell volume: 5999.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No