Information card for entry 4084935

Structure parameters

• Formula: C31 H44 Cl8 N4 O2 Pd
• Calculated formula: C31 H44 Cl8 N4 O2 Pd
• SMILES: c1(c(cccc1C(=O)N(C)C)C(C)C)[N]1=C(C(C)=[N]([Pd]1(Cl)Cl)c1c(cccc1C(=O)N(C)C)C(C)C)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 20.407 ± 0.007 Å
• b: 11.594 ± 0.004 Å
• c: 17.802 ± 0.006 Å
• α: 90°
• β: 110.72 ± 0.006°
• γ: 90°
• Cell volume: 3940 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No