Information card for entry 4346097

Structure parameters

• Formula: C10 H14 Br6 N Nb
• Calculated formula: C10 H14 Br6 N Nb
• SMILES: Br[Nb](Br)(Br)(Br)(Br)[Br-].C[N+](C)=CCc1ccccc1
• Title of publication: Synthesis of α-amino acidato derivatives of niobium and tantalum pentahalides and their conversion into iminium salts.
• Authors of publication: Bortoluzzi, Marco; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 4047 - 4055
• a: 42.613 ± 0.014 Å
• b: 7.231 ± 0.002 Å
• c: 16.799 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5176 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No