Information card for entry 7112263

Structure parameters

• Formula: C27 H36 Cl5 N2 Nb
• Calculated formula: C27 H36 Cl5 N2 Nb
• Title of publication: A structurally-characterized NbCl5-NHC adduct
• Authors of publication: Marco Bortoluzzi; Eleonora Ferretti; Fabio Marchetti; Guido Pampaloni; Stefano Zacchini
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4472
• a: 10.225 ± 0.0017 Å
• b: 17.76 ± 0.003 Å
• c: 17.334 ± 0.003 Å
• α: 90°
• β: 103.682 ± 0.002°
• γ: 90°
• Cell volume: 3058.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No