Information card for entry 4311101

Structure parameters

• Formula: C96 H108 Al8 F6 N2
• Calculated formula: C96 H108 Al8 F6 N2
• 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: 11.642 ± 0.002 Å
• b: 31.9 ± 0.006 Å
• c: 11.986 ± 0.002 Å
• α: 90°
• β: 102.75 ± 0.03°
• γ: 90°
• Cell volume: 4341.6 ± 1.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.1282
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No