Information card for entry 1557035

Structure parameters

• Formula: C12 H58 Cr Mo6 N3 O32
• Calculated formula: C12 Cr Mo6 N3 O32
• SMILES: [Mo]123([O]4[Mo]5([O]6[Mo]7([O]8[Mo]9([O]%10[Mo]%11([O]%12[Mo]([O]1[Cr]468%10%12)(O2)(O%11)(=O)=O)(O9)(=O)=O)(O7)(=O)=O)(O5)(=O)=O)(O3)(=O)=O)(=O)=O.[NH3+]C(C)(C)C.[NH3+]C(C)(C)C.[NH3+]C(C)(C)C.O.O.O.O.O.O.O.O
• Title of publication: Synthesis, Crystal Structure, and Vibrational and Electron Spin Resonance Study of tert-Butylammonium Chromohexamolybdates, [(CH3)3CNH3]n[H(9-n)CrMo6O24].mH2O (n = 2, m = 2; n = 3, m = 8). Effects of Degrees of Protonation and Hydration
• Authors of publication: Wery, Ana S. J.; Gutierrez-Zorrilla, Juan M.; Luque, Antonio; Ugalde, Maria; Roman, Pascual; Lezama, Luis; Rojo, Teofilo
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 1194 - 1201
• a: 14.421 ± 0.002 Å
• b: 11.263 ± 0.006 Å
• c: 28.954 ± 0.003 Å
• α: 90°
• β: 99.7 ± 0.01°
• γ: 90°
• Cell volume: 4636 ± 3 ų
• Ambient diffraction temperature: 295 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 significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No