Information card for entry 4329460

Structure parameters

• Chemical name: tris(μ~2~-phenylsulfido)-bis(tritertbutylphosphine)-dimethyl-di-copper-gallium
• Formula: C44 H75 Cu2 Ga P2 Se3
• Calculated formula: C44 H75 Cu2 Ga P2 Se3
• SMILES: [Cu]1([Se]([Ga]([Se]([Cu]([Se]1c1ccccc1)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)c1ccccc1)(C)C)c1ccccc1)[P](C(C)(C)C)(C(C)(C)C)C(C)(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: 13.6272 ± 0.0007 Å
• b: 13.0077 ± 0.0005 Å
• c: 28.082 ± 0.0014 Å
• α: 90°
• β: 97.114 ± 0.004°
• γ: 90°
• Cell volume: 4939.5 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No