Information card for entry 2016413

Structure parameters

• Common name: dichlorido[1,1'-(butane-1,3-diyl)-3,3',4,4'-tetramethyl-5,5'-diphenyl-2,2'- biphosphole]palladium(II) dichloromethane solvate
• Chemical name: dichlorido(1,2,5,10,11-pentamethyl-3,9- diphenylperhydrodicyclopenta[a,c][1,4]diphosphepine-κ^2^P,P')palladium(II) dichloromethane solvate
• Formula: C29 H32 Cl4 P2 Pd
• Calculated formula: C29 H32 Cl4 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P@@]23[C@@H](CC[P@@]41C(=C(C(=C4c1ccccc1)C)C)C2=C(C(=C3c1ccccc1)C)C)C.C(Cl)Cl
• Title of publication: New enantiopure palladium(II) complexes from a stereodynamic 2,2'-biphosphole ligand
• Authors of publication: Diab, Lisa; Daran, Jean-Claude; Gouygou, Maryse; Manoury, Eric; Urrutigoïty, Martine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m43 - m45
• a: 8.9333 ± 0.0004 Å
• b: 12.1598 ± 0.0004 Å
• c: 14.0088 ± 0.0006 Å
• α: 90°
• β: 103.678 ± 0.004°
• γ: 90°
• Cell volume: 1478.58 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes