Information card for entry 4337391

Structure parameters

• Chemical name: bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetra(propan-2-ido) -bis(triisopropylphosphine)-dicopper(+1)-dialuminium(+3)
• Formula: C34 H78 Al2 Cu2 P2 S4
• Calculated formula: C34 H78 Al2 Cu2 P2 S4
• SMILES: C1C[S]2[Al](C(C)C)(C(C)C)[S]3CC[S]([Al]([S]1[Cu]2[P](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)[Cu]3[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.
• Authors of publication: Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1614 - 1623
• a: 8.4693 ± 0.0012 Å
• b: 11.733 ± 0.0017 Å
• c: 13.4863 ± 0.0017 Å
• α: 65.856 ± 0.01°
• β: 72.629 ± 0.01°
• γ: 86.589 ± 0.012°
• Cell volume: 1164.1 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No