Information card for entry 1568373

Structure parameters

• Formula: C17 H22 Cl2 N2 O2 Pd
• Calculated formula: C17 H22 Cl2 N2 O2 Pd
• SMILES: [Pd]12([N](C)(C)CCC[N]1(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: 16.7813 ± 0.0009 Å
• b: 8.4205 ± 0.0003 Å
• c: 26.3272 ± 0.0013 Å
• α: 90°
• β: 103.427 ± 0.005°
• γ: 90°
• Cell volume: 3618.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No