Information card for entry 4084936

Structure parameters

• Formula: C27 H37 Cl2 N3 O Pd
• Calculated formula: C27 H37 Cl2 N3 O Pd
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C(C)=[N]([Pd]1(Cl)Cl)c1c(cccc1C(=O)NC)C(C)C)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: 10.6721 ± 0.0007 Å
• b: 15.7078 ± 0.001 Å
• c: 17.5157 ± 0.001 Å
• α: 90°
• β: 109.248 ± 0.003°
• γ: 90°
• Cell volume: 2772.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No