Information card for entry 2244068

Structure parameters

• Chemical name: Bis(ammonium) bis[pentaaqua(dimethylformamide)zinc(II)] decavanadate tetrahydrate
• Formula: C6 H50 N4 O44 V10 Zn2
• Calculated formula: C6 H50 N4 O44 V10 Zn2
• SMILES: C(N(C)C)=[O][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].[NH4+].O1[V]234(O[V]567(=O)O[V]89%10(=O)[O]%11%1225[V]25%13(O[V]1%11(O6)(O9)=O)[O]8[V]168(O[V]9%11%14(O[V]%15%12([O]%101)(O7)[O]1%1389[V](O5)(=O)(O[V]1([O]32)(=O)([O]4%15)O%14)(O6)O%11)=O)=O)=O.O.O.C(N(C)C)=[O][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].[NH4+].O.O
• Title of publication: Crystal structure of bis(ammonium) bis[pentaaqua(dimethylformamide)zinc(II)] decavanadate tetrahydrate
• Authors of publication: Ebrahimi, Arash; Gyepes, Róbert; Bujdoš, Marek; Krivosudský, Lukáš
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 5
• a: 15.5436 ± 0.0006 Å
• b: 8.6538 ± 0.0004 Å
• c: 16.7362 ± 0.0007 Å
• α: 90°
• β: 108.628 ± 0.001°
• γ: 90°
• Cell volume: 2133.27 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes