Information card for entry 4076893

Structure parameters

• Formula: C44 H45 P3 Pd
• Calculated formula: C44 H45 P3 Pd
• SMILES: [Pd]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)P(c1c(cc(cc1C2)C)C)c1c(cc(cc1C)C)C
• Title of publication: Palladium(II) Terminal Phosphido Complexes Derived from Cyclometalated Dimesitylphosphine: Synthesis, Structure, and Low-Barrier Phosphorus Inversion
• Authors of publication: Zhuravel, Michael A.; Glueck, David S.; Zakharov, Lev N.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3208
• a: 9.6982 ± 0.0007 Å
• b: 11.7577 ± 0.0008 Å
• c: 16.9489 ± 0.0012 Å
• α: 79.318 ± 0.001°
• β: 80.299 ± 0.001°
• γ: 88.051 ± 0.001°
• Cell volume: 1872 ± 0.2 ų
• Cell temperature: 221 ± 2 K
• Ambient diffraction temperature: 221 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No