Information card for entry 4310467

Structure parameters

• Formula: C41 H50 Al Cl2 N2 P
• Calculated formula: C41 H50 Al Cl2 N2 P
• SMILES: Cl[Al]1(Cl)[N](=C(C)C(P(c2ccccc2)c2ccccc2)=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Structures of Complexes Demonstrating the Coordinative Versatility of the 2,4-Diimino-3-phosphinopentene Anion (γ-Phosphino-β-diketiminate)
• Authors of publication: Neil Burford; Mark D'eon; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 734 - 738
• a: 18.3867 ± 0.0011 Å
• b: 20.2465 ± 0.0012 Å
• c: 21.232 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7904 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No