Information card for entry 7008975

Structure parameters

• Chemical name: tetramolybdenumdiniobiumoctaoxotetradecaisopropoxide
• Formula: C42 H98 Mo4 Nb2 O22
• Calculated formula: C42 H98 Mo4 Nb2 O22
• SMILES: C(C)([O]1[Mo]234(O[Mo]53(O2)([O](C(C)C)[Mo]23(O[Mo]673([O](C(C)C)[Nb]([O]7C(C)C)(OC(C)C)(OC(C)C)(OC(C)C)[O]6C(C)C)(O2)=O)([O]5C(C)C)=O)=O)([O](C(C)C)[Nb]1(OC(C)C)(OC(C)C)(OC(C)C)[O]4C(C)C)=O)C
• Title of publication: The solution thermolysis approach to molybdenum(V) alkoxides: synthesis, solid state and solution structures of the bimetallic alkoxides of molybdenum(V) and niobium(V), tantalum(V) and tungsten(VI)
• Authors of publication: Johansson, Anders; Roman, Magnus; Seisenbaeva, Gulaim A.; Kloo, Lars; Szabo, Zoltan; Kessler, Vadim G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 387
• a: 10.0293 ± 0.0012 Å
• b: 10.9976 ± 0.0013 Å
• c: 15.7176 ± 0.0018 Å
• α: 94.154 ± 0.002°
• β: 93.941 ± 0.002°
• γ: 107.329 ± 0.002°
• Cell volume: 1643.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No