Information card for entry 4318546

Structure parameters

• Common name: rac-2
• Formula: C14 H28 Cu N2 S2
• Calculated formula: C14 H28 Cu N2 S2
• SMILES: [Cu]123SC(C[NH]2[C@@H]2[C@@H]([NH]3CC(S1)(C)C)CCCC2)(C)C.[Cu]123SC(C[NH]2[C@H]2[C@H]([NH]3CC(S1)(C)C)CCCC2)(C)C
• Title of publication: Charge-Transfer Spectra of Structurally Characterized Mixed-Valence Thiolate-Bridged Cu(I)/Cu(II) Cluster Complexes
• Authors of publication: Robert T. Stibrany; Ronald Fikar; Mark Brader; Marc N. Potenza; Joseph A. Potenza; Harvey J. Schugar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5203 - 5215
• a: 10.162 ± 0.002 Å
• b: 16.221 ± 0.003 Å
• c: 10.332 ± 0.001 Å
• α: 90°
• β: 94.24 ± 0.01°
• γ: 90°
• Cell volume: 1698.4 ± 0.5 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 1 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: 0.0374
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No