Information card for entry 7028887

Structure parameters

• Formula: C34 H78 Cu4 P2 S4
• Calculated formula: C34 H78 Cu4 P2 S4
• SMILES: C(C)(C)(C)[S]1[Cu][S](C(C)(C)C)[Cu]([P](CCC)(CCC)CCC)[S](C(C)(C)C)[Cu][S](C(C)(C)C)[Cu]1[P](CCC)(CCC)CCC
• Title of publication: N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.
• Authors of publication: Najafabadi, Bahareh Khalili; Corrigan, John F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2104 - 2111
• a: 9.468 ± 0.003 Å
• b: 10.869 ± 0.004 Å
• c: 12.157 ± 0.005 Å
• α: 68.774 ± 0.014°
• β: 78.351 ± 0.01°
• γ: 82.542 ± 0.012°
• Cell volume: 1140 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No