Information card for entry 4325148

Structure parameters

• Common name: tetrakis(triisopropylphosphino)-hexakis(copper-phenylselenolate)
• Chemical name: tris(μ~3~-phenylselenido)-tris(μ~2~-phenylselenido) -tetrakis(triisopropylphosphine)-hexa-copper
• Formula: C72 H114 Cu6 P4 Se6
• Calculated formula: C72 H114 Cu6 P4 Se6
• SMILES: [Cu]1([Se]([Cu]2[Se]3(c4ccccc4)[Cu]([Se]4(c5ccccc5)[Cu]([Se]2([Cu]([Se]([Cu]34[P](C(C)C)(C(C)C)C(C)C)c2ccccc2)[P](C(C)C)(C(C)C)C(C)C)c2ccccc2)[P](C(C)C)(C(C)C)C(C)C)[Se]1c1ccccc1)c1ccccc1)[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding
• Authors of publication: Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4742 - 4752
• a: 14.9051 ± 0.0007 Å
• b: 16.5766 ± 0.0009 Å
• c: 18.5139 ± 0.001 Å
• α: 102.399 ± 0.004°
• β: 103.369 ± 0.004°
• γ: 100.992 ± 0.004°
• Cell volume: 4205.3 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No