Information card for entry 2226633

Structure parameters

• Chemical name: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')chloridotrimethanolatoniobium(V)
• Formula: C8 H16 Cl Nb O5
• Calculated formula: C8 H16 Cl Nb O5
• SMILES: CO[Nb]1(OC)(OC)(OC(=CC(=[O]1)C)C)Cl
• Title of publication: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')chloridotrimethanolatoniobium(V)
• Authors of publication: Herbst, Leandra; Koen, Renier; Roodt, Andreas; Visser, Hendrik G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m801 - m802
• a: 12.296 ± 0.005 Å
• b: 12.915 ± 0.004 Å
• c: 15.47 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2456.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes