Information card for entry 7706896

Structure parameters

• Formula: C10 H20 Cl3 N2 Nb O4
• Calculated formula: C10 H20 Cl3 N2 Nb O4
• SMILES: [Nb]12(Cl)(Cl)(Cl)([O]=C(N(CC)CC)O1)[O]=C(N(CC)CC)O2
• Title of publication: Non-precious metal carbamates as catalysts for the aziridine/CO₂ coupling reaction under mild conditions.
• Authors of publication: Bresciani, Giulio; Zacchini, Stefano; Marchetti, Fabio; Pampaloni, Guido
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 5351 - 5359
• a: 15.3038 ± 0.0015 Å
• b: 16.5965 ± 0.0016 Å
• c: 13.8932 ± 0.0014 Å
• α: 90°
• β: 90.886 ± 0.002°
• γ: 90°
• Cell volume: 3528.3 ± 0.6 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: 0.0325
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No