Information card for entry 7028871

Structure parameters

• Formula: C23 H30 Cl2 N2 P2 Pd
• Calculated formula: C23 H30 Cl2 N2 P2 Pd
• SMILES: c12n(ccn1)[P](c1ccccc1)(c1ccccc1)[Pd]([P]2(C(C)(C)C)C(C)(C)C)(Cl)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: 9.7407 ± 0.0003 Å
• b: 14.4492 ± 0.0004 Å
• c: 17.6018 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2477.37 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No