Information card for entry 2236134

Structure parameters

• Chemical name: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')dichloridobis(methanolato- κ<i>O</i>)niobium(V)
• Formula: C7 H13 Cl2 Nb O4
• Calculated formula: C7 H13 Cl2 Nb O4
• SMILES: CC1=CC(C)=[O][Nb](O1)(OC)(OC)(Cl)Cl
• Title of publication: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')dichloridobis(methanolato-κ<i>O</i>)niobium(V)
• Authors of publication: Herbst, Leandra; Visser, Hendrik G.; Roodt, Andreas; Pretorius, Carla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1392
• a: 7.7985 ± 0.0002 Å
• b: 11.6028 ± 0.0003 Å
• c: 14.6819 ± 0.0002 Å
• α: 90°
• β: 111.279 ± 0.001°
• γ: 90°
• Cell volume: 1237.91 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes