Information card for entry 4038357

Structure parameters

• Formula: C15 H27 Cl5 N2 Pd
• Calculated formula: C15 H27 Cl5 N2 Pd
• SMILES: [Pd]1(Cl)(Cl)[N]2(CCC[C@@H]3[N]41[C@H](CC[C@H]2C3)CCCC4)C.ClC(Cl)Cl
• Title of publication: Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.
• Authors of publication: Higgins, Tyler; Winkler, Jeffrey D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.3932 ± 0.0003 Å
• b: 13.9575 ± 0.0004 Å
• c: 17.1315 ± 0.0005 Å
• α: 90°
• β: 101.894 ± 0.002°
• γ: 90°
• Cell volume: 1963.84 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No