Information card for entry 7043001

Structure parameters

• Formula: C39 H35 Cr N O3 Pd
• Calculated formula: C32 H27 Cr N O3 Pd
• Title of publication: Trans-Cis C-Pd-C Rearrangement in Hemichelates
• Authors of publication: Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.275 ± 0.001 Å
• b: 20.459 ± 0.001 Å
• c: 12.392 ± 0.001 Å
• α: 90°
• β: 91.707 ± 0.001°
• γ: 90°
• Cell volume: 3110.7 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No