Information card for entry 1532500

Structure parameters

• Formula: C68 H72 B F24 I P3 Pd
• Calculated formula: C68 H72 B F24 I P3 Pd
• SMILES: [Pd]12(C(c3ccc(cc3[P]1(C(C)C)C(C)C)C(C)(C)C)(c1ccc(cc1[P]2(C(C)C)C(C)C)C(C)(C)C)[P+](C)(C)C)I.FC(F)(F)c1cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F
• Title of publication: Redox-induced umpolung of transition metal carbenes
• Authors of publication: Cui, Peng; Iluc, Vlad M.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 7343
• a: 10.0901 ± 0.0007 Å
• b: 23.7955 ± 0.0017 Å
• c: 31.205 ± 0.002 Å
• α: 90°
• β: 90.532 ± 0.002°
• γ: 90°
• Cell volume: 7492 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No