Information card for entry 7023000

Structure parameters

• Common name: bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-tetraethanido - bis(triisopropylphosphine)-dicopper(+1)-digallium(+3)
• Chemical name: bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetraethanido -bis(triisopropylphosphine)-dicopper(+1)-digallium(+3)
• Formula: C30 H70 Cu2 Ga2 P2 S4
• Calculated formula: C30 H70 Cu2 Ga2 P2 S4
• SMILES: C1C[S]2[Cu]([P](C(C)C)(C(C)C)C(C)C)[S]1[Ga](CC)(CC)[S]1CC[S]([Cu]1[P](C(C)C)(C(C)C)C(C)C)[Ga]2(CC)CC
• 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: 10.9836 ± 0.0007 Å
• b: 15.158 ± 0.0007 Å
• c: 13.1324 ± 0.0008 Å
• α: 90°
• β: 107.2 ± 0.005°
• γ: 90°
• Cell volume: 2088.6 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No