Information card for entry 4084932

Structure parameters

• Formula: C27 H37 N3 O
• Calculated formula: C27 H37 N3 O
• SMILES: N(=C(\C)C1(N(C)C(=O)c2cccc(c2N1)C(C)C)C)\c1c(cccc1C(C)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: 14.48 ± 0.007 Å
• b: 20.124 ± 0.01 Å
• c: 19.247 ± 0.007 Å
• α: 90°
• β: 121.97 ± 0.03°
• γ: 90°
• Cell volume: 4758 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.2228
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No