Information card for entry 4106081

Structure parameters

• Formula: C116 H50 Cu P S6
• Calculated formula: C116 H50 Cu P S6
• Title of publication: Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides
• Authors of publication: Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 6841 - 6851
• a: 17.674 ± 0.004 Å
• b: 23.521 ± 0.005 Å
• c: 18.549 ± 0.004 Å
• α: 90°
• β: 96.942 ± 0.003°
• γ: 90°
• Cell volume: 7654 ± 3 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: 0.1021
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No