Information card for entry 7010361

Structure parameters

• Formula: C31 H36 N O P Pd
• Calculated formula: C31 H36 N O P Pd
• SMILES: [Pd]12([P](C3=C(O1)[C@@]1(CC[C@H]3C1(C)C)C)(c1ccccc1)c1ccccc1)[N](Cc1c2cccc1)(C)C
• Title of publication: A new chiral metalladiphosphine for early‒late chemistry. Crystal structure of a D-camphor-based zirconium enolato phosphine and rearrangement of heterobimetallic Zr/Pd complexes †
• Authors of publication: Mattheis, Chris; Braunstein, Pierre; Fischer, Axel
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 800
• a: 15.9544 ± 0.0015 Å
• b: 31.8046 ± 0.0015 Å
• c: 11.0466 ± 0.0012 Å
• α: 90°
• β: 95.916 ± 0.006°
• γ: 90°
• Cell volume: 5575.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No