Information card for entry 4068962

Structure parameters

• Chemical name: [Dimethyl 2-(1,3-dineopentyl-1,2-dihydro-benzo[c][1,3,2]diazaphosphol-2-yl)- 3-(diphenylphosphino)succinate dichloro palladium(II)
• Formula: C38.5 H54.5 Cl2 N3.5 O5.5 P2 Pd
• Calculated formula: C38.5 H54.5 Cl2 N3.5 O5.5 P2 Pd
• SMILES: N1([P]2(N(c3c1cccc3)CC(C)(C)C)[C@@H]([C@H]([P](c1ccccc1)(c1ccccc1)[Pd]2(Cl)Cl)C(=O)OC)C(=O)OC)CC(C)(C)C.O=CN(C)C.N1([P]2(N(c3c1cccc3)CC(C)(C)C)[C@H]([C@@H]([P](c1ccccc1)(c1ccccc1)[Pd]2(Cl)Cl)C(=O)OC)C(=O)OC)CC(C)(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Diphosphination of Electron Poor Alkenes
• Authors of publication: Hajdók, Imre; Lissner, Falk; Nieger, Martin; Strobel, Sabine; Gudat, Dietrich
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1644
• a: 23.899 ± 0.002 Å
• b: 14.033 ± 0.001 Å
• c: 25.17 ± 0.002 Å
• α: 90°
• β: 94.36 ± 0.01°
• γ: 90°
• Cell volume: 8417 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No