Information card for entry 4306561

Structure parameters

• Formula: C22 H38 Co N P2 S Te
• Calculated formula: C22 H38 Co N P2 S Te
• SMILES: [Co]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81.[Te]=P([N-]P(=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: 16.8757 ± 0.0005 Å
• b: 12.3355 ± 0.0003 Å
• c: 13.6601 ± 0.0003 Å
• α: 90°
• β: 109.939 ± 0.001°
• γ: 90°
• Cell volume: 2673.17 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No