Information card for entry 4068294

Structure parameters

• Formula: C30 H39 I O2 P2 Pd
• Calculated formula: C30 H39 I O2 P2 Pd
• SMILES: I[Pd]12[P](Oc3c(c4c2c(ccc4)c2c(O[P]1(C(C)C)C(C)C)cccc2)cccc3)(C(C)C)C(C)C
• Title of publication: m-Terphenyl Anchored Palladium Diphosphinite PCP-Pincer Complexes That Promote the Suzuki−Miyaura Reaction Under Mild Conditions
• Authors of publication: Lipke, Mark C.; Woloszynek, Robert A.; Ma, Liqing; Protasiewicz, John D.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 188
• a: 9.1944 ± 0.0003 Å
• b: 16.2698 ± 0.0005 Å
• c: 19.51 ± 0.0006 Å
• α: 90°
• β: 94.999 ± 0.001°
• γ: 90°
• Cell volume: 2907.42 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0239
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No