Information card for entry 7040365

Structure parameters

• Formula: C30 H40 Cu P
• Calculated formula: C30 H40 Cu P
• SMILES: [Cu]([P](CC)(CC)CC)c1c(c2c(C)cc(C)cc2C)cccc1c1c(cc(C)cc1C)C
• 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: 11.938 ± 0.003 Å
• b: 11.356 ± 0.002 Å
• c: 20.088 ± 0.004 Å
• α: 90°
• β: 95.631 ± 0.003°
• γ: 90°
• Cell volume: 2710.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0666
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No