Information card for entry 4306560

Structure parameters

• Formula: C24 H56 N2 P4 Se2 Te2
• Calculated formula: C24 H56 N2 P4 Se2 Te2
• SMILES: C(C)(C)P([Te][Te]P(=NP(C(C)C)(C(C)C)=[Se])(C(C)C)C(C)C)(=NP(=[Se])(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: 7.5584 ± 0.0002 Å
• b: 8.0137 ± 0.0003 Å
• c: 15.0009 ± 0.0005 Å
• α: 97.4738 ± 0.0016°
• β: 96.35 ± 0.002°
• γ: 92.604 ± 0.002°
• Cell volume: 893.72 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No