Information card for entry 1568377

Structure parameters

• Formula: C45 H33 Cl5 Fe O2 P2 Pd
• Calculated formula: C45 H33 Cl5 Fe O2 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: 32.1117 ± 0.0004 Å
• b: 12.4315 ± 0.0002 Å
• c: 10.0614 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4016.48 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No