Information card for entry 4325150

Structure parameters

• Common name: tris(triisopropylphosphino)-heptakis(copper-phenylselenolate)
• Chemical name: pentakis(μ~3~-phenylselenido)-bis(μ~2~-phenylselenido) -tris(triisopropylphosphine)-hepta-copper
• Formula: C69 H98 Cu7 P3 Se7
• Calculated formula: C69 H98 Cu7 P3 Se7
• SMILES: [Cu]12([Cu]3456[Cu]789([Cu]%10%11([Cu]%12([Se]8%10c8ccccc8)([Se]%11([Cu]37([Se]9([Cu]([Se]%12c3ccccc3)[P](C(C)C)(C(C)C)C(C)C)c3ccccc3)[Se]6c3ccccc3)c3ccccc3)[P](C(C)C)(C(C)C)C(C)C)[Se]25c2ccccc2)[Se]14c1ccccc1)[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: 16.8095 ± 0.0009 Å
• b: 21.8464 ± 0.0008 Å
• c: 21.4504 ± 0.001 Å
• α: 90°
• β: 90.499 ± 0.004°
• γ: 90°
• Cell volume: 7876.9 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No