Information card for entry 4301994

Structure parameters

• Formula: C36 H84 Cu3 N3 P6 S3 Te3
• Calculated formula: C36 H84 Cu3 N3 P6 S3 Te3
• SMILES: [Te]12P(C(C)C)(C(C)C)=NP(C(C)C)(C(C)C)=[S][Cu]1[Te]1P(C(C)C)(C(C)C)=NP(C(C)C)(C(C)C)=[S][Cu]1[Te]1P(C(C)C)(C(C)C)=NP(C(C)C)(C(C)C)=[S][Cu]21
• Title of publication: Group 11 Complexes of the P,Te-Centered Ligand [TePiPr2NPiPr2]-: Synthesis, Structures, and Insertion Reactions of the Copper(I) Complex with Chalcogens
• Authors of publication: Jamie S. Ritch; Tristram Chivers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3857 - 3865
• a: 8.47 ± 0.0017 Å
• b: 20.327 ± 0.004 Å
• c: 21.099 ± 0.004 Å
• α: 117.28 ± 0.03°
• β: 96.25 ± 0.03°
• γ: 90.27 ± 0.03°
• Cell volume: 3203.3 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No