Information card for entry 7030475

Structure parameters

• Chemical name: Acetylacetonato-Bis-(mu-((diphenylphosphino)methyl)benzene-1,2-bis(olato))-A luminium(III)-Palladium(II)
• Formula: C45 H45 Al O8 P2 Pd
• Calculated formula: C45 H45 Al O8 P2 Pd
• SMILES: [Pd]1234[O]5c6c(O[Al]7845([O]2c2c(O7)cccc2C[P]3(c2ccccc2)c2ccccc2)OC(=CC(=[O]8)C)C)cccc6C[P]1(c1ccccc1)c1ccccc1.OC.OC
• Title of publication: Heterobimetallic catechol-phosphine complexes with palladium and a group-13 element: structural flexibility and dynamics.
• Authors of publication: Bauer, G.; Nieger, M.; Gudat, D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8911 - 8920
• a: 12.393 ± 0.002 Å
• b: 13.325 ± 0.002 Å
• c: 13.465 ± 0.002 Å
• α: 96.11 ± 0.01°
• β: 112.09 ± 0.01°
• γ: 97.42 ± 0.01°
• Cell volume: 2013.8 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No