Information card for entry 4302729

Structure parameters

• Formula: C32 H72 N2 P4 S2 Te2
• Calculated formula: C32 H72 N2 P4 S2 Te2
• SMILES: [Te]1([Te]P(=N[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)SP(=NP(=S)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Experimental and Theoretical Investigations of the Contact Ion Pairs Formed by Reactions of the Anions [(EPR2)2N]- (R =iPr,tBu; E = S, Se) with the Cations [(TePR2)2N]+ (R =iPr,tBu)
• Authors of publication: Stuart D. Robertson; Tristram Chivers; Heikki M. Tuononen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6755 - 6762
• a: 16.4711 ± 0.0006 Å
• b: 14.2349 ± 0.0003 Å
• c: 18.8467 ± 0.0007 Å
• α: 90°
• β: 97.2021 ± 0.0013°
• γ: 90°
• Cell volume: 4384 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No