Information card for entry 7028888

Structure parameters

• Formula: C34 H78 Cu4 P2 S4
• Calculated formula: C34 H78 Cu4 P2 S4
• SMILES: [Cu]1[S](C(C)(C)C)[Cu]([P](C(C)C)(C(C)C)C(C)C)[S](C(C)(C)C)[Cu][S](C(C)(C)C)[Cu]([P](C(C)C)(C(C)C)C(C)C)[S]1C(C)(C)C
• 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: 10.23 ± 0.0014 Å
• b: 13.023 ± 0.002 Å
• c: 18.533 ± 0.003 Å
• α: 90°
• β: 114.317 ± 0.004°
• γ: 90°
• Cell volume: 2250 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0625
• 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