Information card for entry 7028872

Structure parameters

• Formula: C24 H33 Cl N2 P2 Pd
• Calculated formula: C24 H33 Cl N2 P2 Pd
• SMILES: c12n(ccn1)[P](c1ccccc1)(c1ccccc1)[Pd](C)([P]2(C(C)(C)C)C(C)(C)C)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: 8.7612 ± 0.0005 Å
• b: 36.145 ± 0.002 Å
• c: 9.6899 ± 0.0004 Å
• α: 90°
• β: 123.139 ± 0.004°
• γ: 90°
• Cell volume: 2569.4 ± 0.3 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: 0.1024
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No