Information card for entry 4329453

Structure parameters

• Chemical name: tetrakis(trimethylphosphine)-copper bis(Phenylsulfido)-dimethyl-gallium
• Formula: C26 H52 Cu Ga P4 S2
• Calculated formula: C26 H52 Cu Ga P4 S2
• SMILES: [Cu]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C.[Ga](Sc1ccccc1)(Sc1ccccc1)(C)C
• Title of publication: Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis
• Authors of publication: Oliver Kluge; Harald Krautscheid
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6655 - 6666
• a: 13.8378 ± 0.0007 Å
• b: 18.6786 ± 0.0008 Å
• c: 14.198 ± 0.0007 Å
• α: 90°
• β: 90.624 ± 0.004°
• γ: 90°
• Cell volume: 3669.5 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No