Information card for entry 7007165

Structure parameters

• Formula: C24 H38 Cl2 P2 Pd
• Calculated formula: C24 H38 Cl2 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](Cc2cccc3cccc(c23)C[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: 1,8-Dimethylnaphthalene-bridged diphosphine ligands: synthesis and structural comparison of their palladium complexes.
• Authors of publication: Bellabarba, Ronan M.; Hammond, Colin; Forman, Grant S.; Tooze, Robert P.; Slawin, Alexandra M. Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 20
• Pages of publication: 2444 - 2449
• a: 16.743 ± 0.003 Å
• b: 15.594 ± 0.003 Å
• c: 19.512 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5094.4 ± 1.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No