Information card for entry 1573749

Structure parameters

• Formula: C31 H62 Al N3 O4
• Calculated formula: C31 H62 Al N3 O4
• SMILES: [Al](ON1C(C)(C)CCCC1(C)C)(ON1C(C)(C)CCCC1(C)C)(ON1C(C)(C)CCCC1(C)C)[O]1CCCC1
• Title of publication: Metal-ligand cooperativity enables zero-valent metal transfer.
• Authors of publication: Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 3888 - 3894
• a: 11.7623 ± 0.0004 Å
• b: 12.4407 ± 0.0005 Å
• c: 12.9344 ± 0.0005 Å
• α: 118.532 ± 0.002°
• β: 91.442 ± 0.002°
• γ: 90.128 ± 0.002°
• Cell volume: 1662.09 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No