Information card for entry 4087218

Structure parameters

• Formula: C15 H23 Cl N O2 P Pd
• Calculated formula: C15 H23 Cl N O2 P Pd
• SMILES: C1(=O)c2cccc3C[P](C(C)(C)C)(C(C)(C)C)[Pd](Cl)(O1)[n]23
• Title of publication: Photolysis of Pincer-Ligated PdII‒Me Complexes in the Presence of Molecular Oxygen
• Authors of publication: Smoll, Karena A.; Kaminsky, Werner; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1213
• a: 10.1012 ± 0.0009 Å
• b: 7.9912 ± 0.0007 Å
• c: 21.0452 ± 0.0019 Å
• α: 90°
• β: 92.17 ± 0.005°
• γ: 90°
• Cell volume: 1697.6 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1071
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No