Information card for entry 2016792

Structure parameters

• Chemical name: μ-oxido-bis[(tert-butylselenolato)bis(η^5^-cyclopentadienyl)niobium(IV)] toluene solvate
• Formula: C35 H46 Nb2 O Se2
• Calculated formula: C35 H46 Nb2 O Se2
• Title of publication: [{Cp~2~(^<i>t^</i>BuSe)Nb}~2~<i>E</i>] (<i>E</i> = O and Se) with bridging oxide or selenide ligands
• Authors of publication: Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m321 - m323
• a: 8.0288 ± 0.001 Å
• b: 12.7685 ± 0.0015 Å
• c: 15.873 ± 0.002 Å
• α: 90°
• β: 92.848 ± 0.006°
• γ: 90°
• Cell volume: 1625.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes