Information card for entry 4311099

Structure parameters

• Formula: C54 H108 Al8 I6 N2 Si6
• Calculated formula: C54 H108 Al8 I6 N2 Si6
• SMILES: C[N](C)(C)[Al]12345[Al]6789(I)[C]%101(CC[Si](C)(C)C)[Al]1%11%125([C]53(CC[Si](C)(C)C)[Al]3%13%144([C]26(CC[Si](C)(C)C)[Al]249%14([C]63(CC[Si](C)(C)C)[Al]3%115%13([C]51(CC[Si](C)(C)C)[Al]18%10%12([C]72(CC[Si](C)(C)C)[Al]46351[N](C)(C)C)I)I)I)I)I.c1ccccc1.c1ccccc1
• 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: 15.4323 ± 0.001 Å
• b: 15.4323 ± 0.001 Å
• c: 29.624 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6109.9 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No