Information card for entry 4067882

Structure parameters

• Formula: C34 H58 Al N5
• Calculated formula: C34 H58 Al N5
• SMILES: [Al](C)(C)(C)N(C1CCCCC1)C(=N\C1CCCCC1)\c1n(c2c(cc(cc2C)C)C)cc[n+]1CCNC(C)(C)C
• Title of publication: Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation
• Authors of publication: Tai, Chia-Cheng; Chang, Ya-Ting; Tsai, Jie-Hong; Jurca, Titel; Yap, Glenn P. A.; Ong, Tiow-Gan
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 637
• a: 10.3063 ± 0.0002 Å
• b: 11.376 ± 0.0002 Å
• c: 15.3201 ± 0.0003 Å
• α: 89.29 ± 0.001°
• β: 89.348 ± 0.001°
• γ: 72.542 ± 0.001°
• Cell volume: 1713.27 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No