Information card for entry 4080102

Structure parameters

• Formula: C32 H36 N4 O4 Pd2
• Calculated formula: C32 H36 N4 O4 Pd2
• SMILES: [Pd]12([O]=C(C)O[Pd]3([O]=C(O1)C)[NH2][C@H](c1c3ccc3c1cccc3)C)[NH2][C@H](c1c2ccc2c1cccc2)C.N#CC.N#CC
• Title of publication: Chiral Palladacycles with N-Heterocyclic Carbene Ligands as Catalysts for Asymmetric Hydrophosphination
• Authors of publication: Sabater, Sara; Mata, Jose A.; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 4
• Pages of publication: 1112
• a: 12.4821 ± 0.0003 Å
• b: 12.8515 ± 0.0003 Å
• c: 20.5376 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3294.51 ± 0.14 ų
• Cell temperature: 219.95 ± 0.1 K
• Ambient diffraction temperature: 219.95 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0815
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No