Information card for entry 4084938

Structure parameters

• Formula: C31 H44 F6 N5 O Pd Sb
• Calculated formula: C31 H44 F6 N5 O Pd Sb
• SMILES: C[Pd]1([N](c2c(cccc2C(=O)NC)C(C)C)=C(C(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)[n]1ccc[nH]1.F[Sb](F)(F)(F)(F)[F-]
• 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: 10.4432 ± 0.0005 Å
• b: 13.8723 ± 0.0006 Å
• c: 26.0265 ± 0.0009 Å
• α: 90°
• β: 110.649 ± 0.002°
• γ: 90°
• Cell volume: 3528.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No