Information card for entry 4329443

Structure parameters

• Chemical name: Tetra(n-butyl)ammonium bis(tryptcylthiolato)cuprate(I) benzene solvate
• Formula: C59 H65 Cu N S2
• Calculated formula: C59 H65 Cu N S2
• Title of publication: Synthesis and Structures of Cuprous Triptycylthiolate Complexes
• Authors of publication: Skylar J. Ferrara; Joel T. Mague; James P. Donahue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6567 - 6576
• a: 12.8412 ± 0.001 Å
• b: 20.2258 ± 0.0016 Å
• c: 18.3842 ± 0.0014 Å
• α: 90°
• β: 93.668 ± 0.001°
• γ: 90°
• Cell volume: 4765 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0914
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No