Information card for entry 7231231

Structure parameters

• Formula: C68 H68 Cl7 F6 N8 O4 P Pd2
• Calculated formula: C68 H68 Cl7 F6 N8 O4 P Pd2
• Title of publication: An efficient class of bis-NHC salts: applications in Pd-catalyzed reactions under mild reaction conditions
• Authors of publication: Chiu, Chien-Cheng; Chiu, Hui-Tzu; Lee, Dong-Sheng; Lu, Ta-Jung
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 46
• Pages of publication: 26407
• a: 12.6608 ± 0.001 Å
• b: 17.192 ± 0.0014 Å
• c: 18.8963 ± 0.0015 Å
• α: 87.943 ± 0.003°
• β: 84.738 ± 0.003°
• γ: 76.841 ± 0.003°
• Cell volume: 3987.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.1096
• Weighted residual factors for significantly intense reflections: 0.283
• Weighted residual factors for all reflections included in the refinement: 0.3036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No