Information card for entry 7011431

Structure parameters

• Formula: C24 H49 I P2 Pd
• Calculated formula: C24 H13 I P2 Pd
• SMILES: [Pd]12(I)[P](C[C@@H]3C2[C@@H](CCC3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, characterisation and catalytic investigation of a new type of PC(sp3)P pincer Pd(II) complex
• Authors of publication: Sven Sjövall; Ola F. Wendt; Carlaxel Andersson
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1396 - 1400
• a: 12.102 ± 0.002 Å
• b: 15.035 ± 0.003 Å
• c: 15.875 ± 0.003 Å
• α: 90°
• β: 100.27 ± 0.03°
• γ: 90°
• Cell volume: 2842.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1107
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No