Information card for entry 1512939

Structure parameters

• Formula: C60 H88 Nb2 O16
• Calculated formula: C60 H88 Nb2 O16
• SMILES: [Nb]12(Oc3cc(OC)ccc3C3=[O][Nb](Oc4cc(OC)ccc4C(=[O]1)c1c(O2)cc(OC)cc1)(OCC(C)(C)C)(OCC(C)(C)C)(Oc1c3ccc(OC)c1)OCC(C)(C)C)(OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C
• Title of publication: Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Ottley
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2010
• Journal volume: 364
• Journal issue: 1
• Pages of publication: 69 - 80
• a: 9.8718 ± 0.0019 Å
• b: 12.387 ± 0.002 Å
• c: 14.648 ± 0.003 Å
• α: 77.074 ± 0.004°
• β: 84.65 ± 0.003°
• γ: 83.303 ± 0.004°
• Cell volume: 1729.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No