Information card for entry 7700857

Structure parameters

• Formula: C51 H58 Al N4 Na O3
• Calculated formula: C51 H58 Al N4 Na O3
• SMILES: c1(ccccc1)[N]1N(C(=[N](N([Al]1(c1ccccc1)c1ccccc1)c1ccccc1)[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)c1ccc(cc1)C)Cc1ccccc1
• Title of publication: Structure and bonding in reduced boron and aluminium complexes with formazanate ligands.
• Authors of publication: Mondol, Ranajit; Otten, Edwin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 13981 - 13988
• a: 14.8381 ± 0.0008 Å
• b: 16.7498 ± 0.001 Å
• c: 18.1161 ± 0.0019 Å
• α: 90°
• β: 96.559 ± 0.004°
• γ: 90°
• Cell volume: 4473 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.052
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No