Information card for entry 4339793

Structure parameters

• Formula: C86 H112 Al2 N2 O6
• Calculated formula: C86 H112 Al2 N2 O6
• SMILES: [Al]12345[N](Cc6c(c(C)cc(c6)C(C)(C)C)O2)(Cc2c(O3)c(C)cc(C(C)(C)C)c2)Cc2cc(C(C)(C)C)cc(c2[O]5[Al]2354[O]1c1c(cc(cc1C[N]2(Cc1c(c(C)cc(C(C)(C)C)c1)O3)Cc1c(O5)c(C)cc(C(C)(C)C)c1)C(C)(C)C)C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Steric stabilization of a monomeric proalumatrane: experimental and theoretical studies.
• Authors of publication: Su, Weiping; Kobayashi, Junji; Ellern, Arkady; Kawashima, Takayuki; Verkade, John G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7953 - 7959
• a: 25.55 ± 0.01 Å
• b: 12.363 ± 0.004 Å
• c: 26.166 ± 0.008 Å
• α: 90°
• β: 106.023 ± 0.01°
• γ: 90°
• Cell volume: 7944 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.1926
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No