Information card for entry 7227641

Structure parameters

• Formula: C7 H16 Cl11 N Nb2 O2
• Calculated formula: C7 H16 Cl11 N Nb2 O2
• SMILES: [Nb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[Nb](Cl)(Cl)(Cl)(Cl)(Cl)[O]=C(OC)[C@@H]([NH3+])CC(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: 10.045 ± 0.002 Å
• b: 6.9628 ± 0.0017 Å
• c: 16.994 ± 0.004 Å
• α: 90°
• β: 106.428 ± 0.003°
• γ: 90°
• Cell volume: 1140.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No