Information card for entry 1557036

Structure parameters

• Formula: C8 H35 Cr Mo6 N2 O26
• Calculated formula: C8 Cr Mo6 N2 O26
• SMILES: [O]12[Mo]345(O[Mo]6(O[Mo]78([O]9[Cr]1([OH2])([OH2])([O]46)[O]1[Mo](O[Mo]2(O3)(O5)=O)(O[Mo]91(O7)(=O)(=O)O8)(=O)=O)=O)(=O)=O)(=O)=O.C(C)(C)([NH3+])C.O.C(C)(C)(C)[NH3+].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: 27.923 ± 0.003 Å
• b: 11.191 ± 0.002 Å
• c: 11.783 ± 0.003 Å
• α: 90°
• β: 102.15 ± 0.02°
• γ: 90°
• Cell volume: 3599.5 ± 1.2 ų
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No