Information card for entry 4075142

Structure parameters

• Formula: C31 H39 Al Li Mo N3 O6
• Calculated formula: C31 H39 Al Li Mo N3 O6
• SMILES: C[Al]12c3cccc[n]3[Mo]([n]3c1cccc3)([n]1c2cccc1)(C#[O])(C#[O])C#[O][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†
• Authors of publication: García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2561
• a: 14.17 ± 0.003 Å
• b: 13.738 ± 0.003 Å
• c: 18.244 ± 0.004 Å
• α: 90°
• β: 110.26 ± 0.03°
• γ: 90°
• Cell volume: 3331.8 ± 1.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No