Information card for entry 4082499

Structure parameters

• Formula: C24 H46 Cl2 P2 Pd
• Calculated formula: C24 H46 Cl2 P2 Pd
• SMILES: C12CCCC(CCC1)[P]2(CC(C)C)[Pd](Cl)([P]1(C2CCCC1CCC2)CC(C)C)Cl
• Title of publication: Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR
• Authors of publication: Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 702
• a: 8.3609 ± 0.0007 Å
• b: 9.1728 ± 0.0009 Å
• c: 9.3913 ± 0.0009 Å
• α: 85.75 ± 0.005°
• β: 64.862 ± 0.005°
• γ: 86.813 ± 0.005°
• Cell volume: 650 ± 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: 0.1068
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No