Information card for entry 2016793

Structure parameters

• Chemical name: μ-selenido-bis[(tert-butylselenolato)bis(η^5^-cyclopentadienyl)niobium(IV)]
• Formula: C28 H38 Nb2 Se3
• Calculated formula: C28 H38 Nb2 Se3
• SMILES: [Nb]12345678([Se]C(C)(C)C)([Se][Nb]9%10%11%12%13%14%15%16([Se]C(C)(C)C)([cH]%17[cH]%12[cH]%11[cH]%10[cH]9%17)[cH]9[cH]%13[cH]%14[cH]%15[cH]%169)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 31.583 ± 0.008 Å
• b: 7.9548 ± 0.0015 Å
• c: 26.52 ± 0.007 Å
• α: 90°
• β: 121.29 ± 0.02°
• γ: 90°
• Cell volume: 5694 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes