Information card for entry 2203596

Structure parameters

• Chemical name: μ-1,2-Bis(dicyclohexylphosphino)ethane-κ^2^P:P'- bis{[1,2-bis(dicyclohexylphosphino)ethane-κ^2^P,P']palladium(0)}
• Formula: C78 H144 P6 Pd2
• Calculated formula: C78 H144 P6 Pd2
• SMILES: C1([P]2([Pd]([P](CC2)(C2CCCCC2)C2CCCCC2)[P](C2CCCCC2)(C2CCCCC2)CC[P]([Pd]2[P](C3CCCCC3)(C3CCCCC3)CC[P]2(C2CCCCC2)C2CCCCC2)(C2CCCCC2)C2CCCCC2)C2CCCCC2)CCCCC1
• Title of publication: μ-1,2-Bis(dicyclohexylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>'-bis{[1,2-bis(dicyclohexylphosphino)ethane-κ^2^<i>P,P</i>']palladium(0)}
• Authors of publication: Boyle, Robert C.; Mague, Joel T.; Fink, Mark J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m625 - m627
• a: 10.732 ± 0.001 Å
• b: 12.442 ± 0.001 Å
• c: 15.523 ± 0.001 Å
• α: 106.244 ± 0.002°
• β: 73.645 ± 0.002°
• γ: 102.621 ± 0.002°
• Cell volume: 1887.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes