Information card for entry 1518476

Structure parameters

• Formula: C14 H23 F6 O6 Pd Sb
• Calculated formula: C14 H23 F6 O6 Pd Sb
• SMILES: [Pd]12([CH2]=[CH]1C[C@H]1[C@@H]3[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@H](C3)[C@@H]21)([OH2])[OH2].[Sb](F)(F)(F)(F)(F)[F-].[Pd]12([CH2]=[CH]1C[C@@H]1[C@H]3[C@H](C(=O)OC)[C@H](C(=O)OC)[C@H](C3)[C@H]21)([OH2])[OH2].[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism
• Authors of publication: Commarieu, Basile; Claverie, Jerome P.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2172
• a: 9.539 ± 0.002 Å
• b: 10.408 ± 0.002 Å
• c: 11.253 ± 0.003 Å
• α: 115.767 ± 0.003°
• β: 97.422 ± 0.003°
• γ: 91.945 ± 0.003°
• Cell volume: 992.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No