Information card for entry 7035126

Structure parameters

• Formula: C5 H9 Cl5 Mo N O2
• Calculated formula: C5 H9 Cl5 Mo N O2
• SMILES: C(=O)([C@@H]1CCC[NH2+]1)Cl.Cl[Mo](Cl)(Cl)(Cl)=O
• Title of publication: MoCl5 as an effective chlorinating agent towards α-amino acids: synthesis of α-ammonium-acylchloride salts and α-amino-acylchloride complexes.
• Authors of publication: Bortoluzzi, Marco; Bresciani, Giulio; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 10030 - 10037
• a: 8.0185 ± 0.0015 Å
• b: 6.6193 ± 0.0012 Å
• c: 11.511 ± 0.002 Å
• α: 90°
• β: 97.137 ± 0.002°
• γ: 90°
• Cell volume: 606.23 ± 0.19 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: 0.0588
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No