Information card for entry 7023173

Structure parameters

• Formula: C19 H23 F5 N Nb O
• Calculated formula: C19 H23 F5 N Nb O
• SMILES: c1(c(cccc1C(C)C)C(C)C)NC=c1c(cccc1)=[O][Nb](F)(F)(F)(F)F
• Title of publication: Coordination complexes of NbX5 (X = F, Cl) with (N,O)- and (O,O)-donor ligands and the first X-ray characterization of a neutral NbF5 adduct.
• Authors of publication: Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Pucino, Margherita; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 13054 - 13064
• a: 9.3116 ± 0.0008 Å
• b: 13.8688 ± 0.0011 Å
• c: 15.259 ± 0.0012 Å
• α: 90°
• β: 97.515 ± 0.001°
• γ: 90°
• Cell volume: 1953.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0245
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No