Information card for entry 7022997

Structure parameters

• Common name: bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-diethanido - tris(triisopropylphosphine)-tricopper(+1)-indium(+3)
• Chemical name: bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-diethanido -tris(triisopropylphosphine)-tricopper(+1)-indium(+3)
• Formula: C35 H81 Cu3 In P3 S4
• Calculated formula: C35 H81 Cu3 In P3 S4
• SMILES: C1C[S]2[Cu]([P](C(C)C)(C(C)C)C(C)C)[S]1[In](CC)(CC)[S]1CC[S]([Cu]2[P](C(C)C)(C(C)C)C(C)C)[Cu]1[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).
• Authors of publication: Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9613 - 9620
• a: 14.017 ± 0.002 Å
• b: 16.647 ± 0.002 Å
• c: 21.653 ± 0.003 Å
• α: 97.771 ± 0.012°
• β: 95.5 ± 0.012°
• γ: 96.334 ± 0.012°
• Cell volume: 4944 ± 1.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No