Information card for entry 4306557

Structure parameters

• Formula: C12 H28 I N P2 S Te
• Calculated formula: C12 H28 I N P2 S Te
• SMILES: I[Te]1SP(=N[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Experimental and Theoretical Investigations of the Redox Behavior of the Heterodichalcogenido Ligands [(EPiPr2)(TePiPr2)N]-(E = S, Se): Cyclic Cations and Acyclic Dichalcogenide Dimers
• Authors of publication: Stuart D. Robertson; Tristram Chivers; Heikki M. Tuononen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10634 - 10643
• a: 8.7937 ± 0.0001 Å
• b: 19.0505 ± 0.0002 Å
• c: 22.7051 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3803.66 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No