Information card for entry 4324537

Structure parameters

• Formula: C43 H55 Al B2 N2 O3
• Calculated formula: C43 H55 Al B2 N2 O3
• SMILES: [Al]12(OB(OB(O1)c1cccc(c1)C)c1cccc(c1)C)N(c1c(cccc1C(C)C)C(C)C)C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C
• Title of publication: Synthesis of Boroxine-Linked Aluminum Complexes
• Authors of publication: Xiaoli Ma; Zhi Yang; Xiujuan Wang; Herbert W. Roesky; Feng Wu; Hongping Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2010 - 2014
• a: 11.171 ± 0.002 Å
• b: 13.209 ± 0.003 Å
• c: 14.544 ± 0.003 Å
• α: 76.869 ± 0.008°
• β: 76.866 ± 0.007°
• γ: 77.367 ± 0.008°
• Cell volume: 2003.5 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No