Information card for entry 1568374

Structure parameters

• Formula: C17 H22 Br2 N2 O2 Pd
• Calculated formula: C17 H22 Br2 N2 O2 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: 12.3508 ± 0.0005 Å
• b: 14.1078 ± 0.0005 Å
• c: 10.6617 ± 0.0005 Å
• α: 90°
• β: 101.286 ± 0.004°
• γ: 90°
• Cell volume: 1821.8 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No