Information card for entry 4301995

Structure parameters

• Formula: C36 H84 Cu2 N3 P6 Se3 Te3
• Calculated formula: C36 H84 Cu3 N3 P6 Se3 Te3
• SMILES: [Te]12[Cu]3[Te]([Cu]4[Te]([Cu]1[Se]=P(N=P2(C(C)C)C(C)C)(C(C)C)C(C)C)P(=NP(=[Se]4)(C(C)C)C(C)C)(C(C)C)C(C)C)P(=NP(=[Se]3)(C(C)C)C(C)C)(C(C)C)C(C)C
• 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: 8.4684 ± 0.0017 Å
• b: 20.421 ± 0.004 Å
• c: 21.183 ± 0.004 Å
• α: 117.27 ± 0.03°
• β: 95.65 ± 0.03°
• γ: 91.29 ± 0.03°
• Cell volume: 3230.8 ± 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: 0.0772
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No