Information card for entry 1568378

Structure parameters

• Formula: C63 H51 Cl2 O4 P2 Pd
• Calculated formula: C63 H51 Cl2 O4 P2 Pd
• 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: 20.2129 ± 0.0009 Å
• b: 13.654 ± 0.0004 Å
• c: 20.7338 ± 0.0008 Å
• α: 90°
• β: 116.67 ± 0.005°
• γ: 90°
• Cell volume: 5113.4 ± 0.4 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: 0.0772
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No