Information card for entry 7056160

Structure parameters

• Formula: C12 H32 Cl9.6 Mo2 N2 O0.4
• Calculated formula: C12 H32 Cl9.6 Mo2 N2 O0.4
• Title of publication: Unusual activation pathways of amines in the reactions with molybdenum pentachloride
• Authors of publication: Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 13.8611 ± 0.0007 Å
• b: 13.6266 ± 0.0007 Å
• c: 14.124 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2667.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No