Information card for entry 7244335

Structure parameters

• Formula: C31 H48 Al N4 P
• Calculated formula: C31 H48 Al N4 P
• SMILES: [Al]([N]1=C2N(C(C)(C)C)C=CN2C(C)(C)C)(N(P1c1ccccc1)c1c(C(C)C)cccc1C(C)C)(C)C
• Title of publication: Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides
• Authors of publication: Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4501 - 4509
• a: 15.5979 ± 0.0006 Å
• b: 10.9206 ± 0.0004 Å
• c: 18.8109 ± 0.0006 Å
• α: 90°
• β: 100.611 ± 0.003°
• γ: 90°
• Cell volume: 3149.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0583
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No