Information card for entry 7227638

Structure parameters

• Formula: C10 H12 Cl8 N2 Nb2 O2
• Calculated formula: C10 H12 Cl8 N2 Nb2 O2
• SMILES: C1(/C2CCC[N]=2[Nb](O1)(Cl)(Cl)(Cl)Cl)=C1\C2CCC[N]=2[Nb](O1)(Cl)(Cl)(Cl)Cl
• 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: 6.7734 ± 0.0009 Å
• b: 13.444 ± 0.0018 Å
• c: 11.9844 ± 0.0016 Å
• α: 90°
• β: 103.854 ± 0.002°
• γ: 90°
• Cell volume: 1059.6 ± 0.2 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: 0.0476
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No