Information card for entry 7027027

Structure parameters

• Formula: C20 H30 Al3 Cl12 N10 Pr
• Calculated formula: C20 H30 Al3 Cl12 N10 Pr
• SMILES: [Pr]([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.[Al](Cl)(Cl)(Cl)[Cl-].[Al](Cl)(Cl)(Cl)[Cl-].[Al](Cl)(Cl)(Cl)[Cl-].N#CC
• Title of publication: Syntheses and structures of some homoleptic acetonitrile lanthanoid(III) complexes
• Authors of publication: Deacon, Glen B.; Görtler, Bernd; Junk, Peter C.; Lork, Enno; Mews, Rüdiger; Petersen, Jan; Zemva, Boris
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 3887
• a: 13.097 ± 0.001 Å
• b: 13.251 ± 0.001 Å
• c: 14.207 ± 0.001 Å
• α: 90°
• β: 108.49°
• γ: 90°
• Cell volume: 2338.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No