Information card for entry 7040366

Structure parameters

• Formula: C30 H43 Cu P2
• Calculated formula: C30 H43 Cu P2
• SMILES: c1(ccccc1)c1c([Cu]([P](CC)(CC)CC)[P](CC)(CC)CC)c(c2ccccc2)ccc1
• Title of publication: Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.
• Authors of publication: Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14265 - 14276
• a: 15.958 ± 0.003 Å
• b: 10.5272 ± 0.0019 Å
• c: 17.379 ± 0.003 Å
• α: 90°
• β: 105.505 ± 0.002°
• γ: 90°
• Cell volume: 2813.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No