Information card for entry 7227640

Structure parameters

• Formula: C6 H16 Cl6 N Nb
• Calculated formula: C6 H16 Cl6 N Nb
• SMILES: [Nb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[NH2+](C(C)C)C(C)C
• Title of publication: The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations
• Authors of publication: Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 10158
• a: 8.065 ± 0.003 Å
• b: 18.492 ± 0.007 Å
• c: 10.184 ± 0.004 Å
• α: 90°
• β: 94.036 ± 0.005°
• γ: 90°
• Cell volume: 1515.1 ± 1 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: 0.071
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No