Information card for entry 7028870

Structure parameters

• Formula: C24 H33 Cl N2 P2 Pd
• Calculated formula: C24 H33 Cl N2 P2 Pd
• SMILES: c12n(ccn1)[P](C(C)(C)C)(C(C)(C)C)[Pd](C)([P]2(c1ccccc1)c1ccccc1)Cl
• Title of publication: Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.
• Authors of publication: Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 1957 - 1960
• a: 8.0415 ± 0.0002 Å
• b: 14.383 ± 0.0004 Å
• c: 21.4302 ± 0.0005 Å
• α: 90°
• β: 96.664 ± 0.002°
• γ: 90°
• Cell volume: 2461.89 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No