Information card for entry 4329466

Structure parameters

• Chemical name: (μ~4~-phenylsulfido)-bis(μ~3~-phenylsulfido)-pentakis(μ~2~-phenylsulfido) -tetrakis(trimethylphosphine)-methyl-hexa-copper-gallium pentane solvate
• Formula: C62.88 H79 Cu6 Ga P4 S8
• Calculated formula: C62.88 H79 Cu6 Ga P4 S8
• 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: 12.4658 ± 0.0004 Å
• b: 25.0048 ± 0.0009 Å
• c: 23.5111 ± 0.0007 Å
• α: 90°
• β: 95.505 ± 0.002°
• γ: 90°
• Cell volume: 7294.7 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No