Information card for entry 4335429

Structure parameters

• Common name: CH2Cl2@[Au4(tppepb)4]I4
• Formula: C548 H409 Au8 Cl8 I8 O4 P24
• Calculated formula: C548 H409 Au8 Cl8 I8 O4 P24
• Title of publication: Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates
• Authors of publication: Sang Ho Lim; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7862 - 7872
• a: 22.379 ± 0.0006 Å
• b: 24.1427 ± 0.0009 Å
• c: 27.514 ± 0.0008 Å
• α: 88.522 ± 0.002°
• β: 68.882 ± 0.001°
• γ: 64.583 ± 0.002°
• Cell volume: 12377.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No