Information card for entry 7244338

Structure parameters

• Formula: C47 H64 Al N4 P
• Calculated formula: C47 H64 Al N4 P
• SMILES: [Al]1([N](=C2C(c3c(C(C)C)cccc3C(C)C)C=CN2c2c(cccc2C(C)C)C(C)C)P(c2ccccc2)N1c1c(cccc1C(C)C)C(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: 13.5229 ± 0.0005 Å
• b: 18.5921 ± 0.0008 Å
• c: 18.0626 ± 0.0008 Å
• α: 90°
• β: 100.669 ± 0.004°
• γ: 90°
• Cell volume: 4462.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1954
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.355
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No