Information card for entry 2201056

Structure parameters

• Formula: C43 H62 O P2 Pd
• Calculated formula: C43 H62 O P2 Pd
• SMILES: [Pd]12([CH](=[CH]1c3ccccc3)C(=O)/C=C\c1ccccc1)[P](CC[P]2(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: A palladium(0) complex of dibenzylideneacetone and a chelating diphosphine
• Authors of publication: Willis, Anthony C.; Retbøll, Mikael K.; Wenger, Eric
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m275 - m277
• a: 21.0704 ± 0.0002 Å
• b: 8.6065 ± 0.0001 Å
• c: 23.6443 ± 0.0003 Å
• α: 90°
• β: 112.459 ± 0.0006°
• γ: 90°
• Cell volume: 3962.5 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections: 1.95
• Goodness-of-fit parameter for all reflections included in the refinement: 1.97
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes