Information card for entry 2242700

Structure parameters

• Common name: Bis(diisopropylammonium) molybdate
• Chemical name: Bis(diisopropylazanium tetraoxomolybdate
• Formula: C12 H32 Mo N2 O4
• Calculated formula: C12 H32 Mo N2 O4
• SMILES: [Mo](=O)(=O)([O-])[O-].[NH2+](C(C)C)C(C)C.[NH2+](C(C)C)C(C)C
• Title of publication: Crystal structure of bis(diisopropylammonium) molybdate
• Authors of publication: Sarr, Bougar; Mbaye, Abdou; Diop, Cheikh Abdoul Khadir; Melin, Frederic; Hellwig, Petra; Sidibé, Mamadou; Rousselin, Yoann
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1682 - 1685
• a: 9.0166 ± 0.0001 Å
• b: 9.0166 ± 0.0001 Å
• c: 23.1158 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1879.29 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0194
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No