Information card for entry 4329470

Structure parameters

• Chemical name: tris(μ~3~-phenyltellurido)-tris(μ~2~-phenyltellurido) -tris(triethylphosphine)-methyl-tetra-copper-gallium
• Formula: C55 H78 Cu4 Ga P3 Te6
• Calculated formula: C55 H78 Cu4 Ga P3 Te6
• SMILES: [Cu]123([Cu]4567[Cu]8([Te]([Ga]([Te]1c1ccccc1)([Te]([Cu]4([Te]68c1ccccc1)([Te]37c1ccccc1)[P](CC)(CC)CC)c1ccccc1)C)c1ccccc1)([Te]25c1ccccc1)[P](CC)(CC)CC)[P](CC)(CC)CC
• 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: 23.2628 ± 0.0008 Å
• b: 13.1277 ± 0.0005 Å
• c: 23.5164 ± 0.0009 Å
• α: 90°
• β: 111.598 ± 0.003°
• γ: 90°
• Cell volume: 6677.4 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No