Information card for entry 4080103

Structure parameters

• Formula: C15 H22 I N3 Pd
• Calculated formula: C15 H22 I N3 Pd
• SMILES: I[Pd]1([N]([C@H](c2c1cccc2)C)(C)C)=C1N(C)C=CN1C
• 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: 11.8164 ± 0.0004 Å
• b: 16.3861 ± 0.0003 Å
• c: 17.9298 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3471.65 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0558
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No