Information card for entry 4311100

Structure parameters

• Formula: C63 H122 Al8 Br2.38 Cl1.62 N2 Si6
• Calculated formula: C63 H122 Al8 Br2.38 Cl1.62 N2 Si6
• Title of publication: Synthesis of Carbaalane Halogen Derivatives
• Authors of publication: Andreas Stasch; Herbert W. Roesky; Denis Vidovic; Jörg Magull; Hans-Georg Schmidt; Mathias Noltemeyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3625 - 3630
• a: 15.732 ± 0.003 Å
• b: 12.9036 ± 0.0017 Å
• c: 21.286 ± 0.007 Å
• α: 90°
• β: 90.59 ± 0.02°
• γ: 90°
• Cell volume: 4320.8 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.1259
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No