Information card for entry 7023001

Structure parameters

• Common name: bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-tetra(propan-2-ido) -bis(triisopropylphosphine)-dicopper(+1)-digallium(+3)
• Chemical name: bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetra(propan-2-ido) -bis(triisopropylphosphine)-dicopper(+1)-digallium(+3)
• Formula: C34 H78 Cu2 Ga2 P2 S4
• Calculated formula: C34 H78 Cu2 Ga2 P2 S4
• SMILES: C1C[S]2[Cu]([P](C(C)C)(C(C)C)C(C)C)[S]1[Ga](C(C)C)(C(C)C)[S]1CC[S]([Cu]1[P](C(C)C)(C(C)C)C(C)C)[Ga]2(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: 8.4082 ± 0.0009 Å
• b: 11.7713 ± 0.0012 Å
• c: 13.4698 ± 0.0015 Å
• α: 65.472 ± 0.008°
• β: 72.916 ± 0.009°
• γ: 86.325 ± 0.009°
• Cell volume: 1156.8 ± 0.2 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: 0.0536
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No