Information card for entry 4084937

Structure parameters

• Formula: C30 H43 N3 O3 Pd
• Calculated formula: C30 H43 N3 O3 Pd
• SMILES: C[Pd]1([N](=C(C(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(=O)NC)OC(=O)C
• Title of publication: Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes
• Authors of publication: Zhai, Feng; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7176
• a: 13.4747 ± 0.0008 Å
• b: 12.2454 ± 0.0007 Å
• c: 18.0447 ± 0.0011 Å
• α: 90°
• β: 91.101 ± 0.002°
• γ: 90°
• Cell volume: 2976.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No