Information card for entry 1532497

Structure parameters

• Formula: C33 H53 I P2 Pd
• Calculated formula: C33 H53 I P2 Pd
• SMILES: [P]1(c2c(ccc(C(C)(C)C)c2)C2[Pd]1([P](c1c2ccc(C(C)(C)C)c1)(C(C)C)C(C)C)I)(C(C)C)C(C)C
• 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: 12.8203 ± 0.0013 Å
• b: 14.834 ± 0.0015 Å
• c: 19.174 ± 0.0019 Å
• α: 90°
• β: 106.641 ± 0.0015°
• γ: 90°
• Cell volume: 3493.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No