Information card for entry 1542628

Structure parameters

• Formula: C63 H39 B F24 N3 P Pd
• Calculated formula: C63 H39 B F24 N3 P Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2ccccc2c2[n]1c1ccccc1[nH]2)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(C(F)(F)F)cc(c1)C(F)(F)F)(c1cc(cc(C(F)(F)F)c1)C(F)(F)F)c1cc(C(F)(F)F)cc(c1)C(F)(F)F
• Title of publication: (Pyridyl)benzoazole palladium(ii) complexes as homogeneous catalysts in hydrogenation of alkenes and alkynes
• Authors of publication: Ojwach, Stephen O.; Ogweno, Aloice O.; Akerman, Matthew P.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 13
• Pages of publication: 5069
• a: 12.7129 ± 0.0008 Å
• b: 13.3917 ± 0.0008 Å
• c: 17.6166 ± 0.0011 Å
• α: 93.824 ± 0.003°
• β: 90.923 ± 0.002°
• γ: 93.204 ± 0.002°
• Cell volume: 2987.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No