Information card for entry 4340212

Structure parameters

• Formula: C18 H33 Al B Cl N2 O
• Calculated formula: C18 H33 Al B Cl N2 O
• SMILES: Cl[Al]1(N(C(C)(C)C)B(N1C(C)(C)C)c1ccccc1)[O](CC)CC
• Title of publication: Syntheses and structures of magnesium and zinc boraamidinates: EPR and DFT investigations of Li, Mg, Zn, B, and In complexes of the [PhB(NtBu)2].- anion radical.
• Authors of publication: Chivers, Tristram; Eisler, Dana J.; Fedorchuk, Chantall; Schatte, Gabriele; Tuononen, Heikki M.; Boeré, René T
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2119 - 2131
• a: 11.8251 ± 0.0002 Å
• b: 13.4014 ± 0.0002 Å
• c: 14.6888 ± 0.0002 Å
• α: 90°
• β: 106.965 ± 0.001°
• γ: 90°
• Cell volume: 2226.48 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No