Information card for entry 7017920

Structure parameters

• Formula: C20 H33 F3 N Nb O5
• Calculated formula: C20 H33 F3 N Nb O5
• SMILES: [Nb]1(OC(C)C)(OC(C)C)(OC(C)C)(OC(=Cc2[n]1cccc2)C(F)(F)F)OC(C)C
• Title of publication: New iso-propoxides, tert-butoxides and neo-pentoxides of niobium(v): Synthesis, structure, characterization and stabilization by trifluoroheteroarylalkenolates and pyridine ligands.
• Authors of publication: Appel, Linus; Fiz, Raquel; Tyrra, Wieland; Mathur, Sanjay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 1981 - 1990
• a: 8.2345 ± 0.001 Å
• b: 18.8002 ± 0.0018 Å
• c: 17.923 ± 0.002 Å
• α: 90°
• β: 116.248 ± 0.009°
• γ: 90°
• Cell volume: 2488.6 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.0871
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No