Information card for entry 7127469

Structure parameters

• Formula: C30 H51 Al N3 Ni P3
• Calculated formula: C30 H51 Al N3 Ni P3
• SMILES: [Ni]123[P](c4n([Al]3(n3c([P]1(C(C)C)C(C)C)ccc3)n1c([P]2(C(C)C)C(C)C)ccc1)ccc4)(C(C)C)C(C)C
• Title of publication: Ni complexes of an alane/tris(phosphine) ligand built around a strongly Lewis acidic tris(<i>N</i>-pyrrolyl)aluminum.
• Authors of publication: Lai, Qingheng; Cosio, Mario N.; Ozerov, Oleg V.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 94
• Pages of publication: 14845 - 14848
• a: 11.29 ± 0.009 Å
• b: 17.502 ± 0.013 Å
• c: 16.876 ± 0.013 Å
• α: 90°
• β: 96.935 ± 0.009°
• γ: 90°
• Cell volume: 3310 ± 4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• 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: 0.0307
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No