Information card for entry 4514683

Structure parameters

• Common name: JZII104B
• Formula: C42 H35 F12 N11 P2 Pd2
• Calculated formula: C42 H35 F12 N11 P2 Pd2
• Title of publication: Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions
• Authors of publication: Zhu, Jiancheng; Lindsay, Vincent N. G.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 6993
• a: 12.0088 ± 0.0005 Å
• b: 12.3492 ± 0.0005 Å
• c: 17.137 ± 0.0007 Å
• α: 101.431 ± 0.001°
• β: 106.142 ± 0.001°
• γ: 105.372 ± 0.001°
• Cell volume: 2250.17 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No