Information card for entry 4306563

Structure parameters

• Formula: C22 H38 Co N P2 Te2
• Calculated formula: C22 H38 Co N P2 Te2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]2[Co]26781345[cH]1[cH]2[cH]6[cH]7[cH]81.C(C)(C)P(=[Te])(N=P(C(C)C)(C(C)C)[Te-])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: 26.292 ± 0.004 Å
• b: 26.292 ± 0.004 Å
• c: 19.9914 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11968 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No