Information card for entry 1568372

Structure parameters

• Formula: C16 H20 Cl2 N2 O2 Pd
• Calculated formula: C16 H20 Cl2 N2 O2 Pd
• SMILES: [Pd]12([N](C)(CC[N]1(C)C)C)[C]1(Cl)=[C]2(Cl)C(=O)c2c(C1=O)cccc2
• Title of publication: Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates
• Authors of publication: Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 1007 - 1018
• a: 8.5369 ± 0.0002 Å
• b: 12.0251 ± 0.0002 Å
• c: 17.0606 ± 0.0004 Å
• α: 90°
• β: 96.799 ± 0.002°
• γ: 90°
• Cell volume: 1739.07 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No