Information card for entry 4306559

Structure parameters

• Formula: C24 H56 N2 P4 S2 Te2
• Calculated formula: C24 H56 N2 P4 S2 Te2
• SMILES: [Te]([Te]P(=NP(=S)(C(C)C)C(C)C)(C(C)C)C(C)C)P(=NP(=S)(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: 24.5509 ± 0.0006 Å
• b: 8.6486 ± 0.0002 Å
• c: 17.3592 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3685.89 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No