Information card for entry 4302731

Structure parameters

• Formula: C24 H56 N2 P4 S2 Te2
• Calculated formula: C24 H56 N2 P4 S2 Te2
• SMILES: [Te]1([Te]P(=N[P]1(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
• 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: 8.2161 ± 0.0002 Å
• b: 22.9175 ± 0.0005 Å
• c: 19.1012 ± 0.0004 Å
• α: 90°
• β: 93.521 ± 0.001°
• γ: 90°
• Cell volume: 3589.82 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No