Information card for entry 4335426

Structure parameters

• Common name: CH2Cl2@[Cu4(tppepb)4]I4
• Formula: C267 H186 Cl6 Cu4 I4 P12
• Calculated formula: C267 H186 Cl6 Cu4 I4 P12
• 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: 34.8818 ± 0.0015 Å
• b: 49.512 ± 0.002 Å
• c: 19.2091 ± 0.0009 Å
• α: 90°
• β: 114.534 ± 0.002°
• γ: 90°
• Cell volume: 30180 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No