Information card for entry 2226585

Structure parameters

• Chemical name: 1,3,5,7-Tetrakis(4-iodophenyl)adamantane benzene tetrasolvate
• Formula: C58 H52 I4
• Calculated formula: C58 H52 I4
• Title of publication: 1,3,5,7-Tetrakis(4-iodophenyl)adamantane benzene tetrasolvate
• Authors of publication: Bats, Jan W.; Pospiech, Steffen; Prisner, Thomas F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1636
• a: 18.883 ± 0.003 Å
• b: 18.883 ± 0.003 Å
• c: 7.2442 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2583 ± 0.9 ų
• Cell temperature: 164 ± 2 K
• Ambient diffraction temperature: 164 ± 2 K
• Number of distinct elements: 3
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes