Information card for entry 4130638

Structure parameters

• Formula: C8 H24 I2 P2 Pt
• Calculated formula: C8 H24 I2 P2 Pt
• SMILES: C[Pt](C)([P](C)(C)C)([P](C)(C)C)(I)I
• Title of publication: Scope and Mechanism of Cooperativity at the Intersection of Organometallic and Supramolecular Catalysis.
• Authors of publication: Levin, Mark D.; Kaphan, David M.; Hong, Cynthia M.; Bergman, Robert G.; Raymond, Kenneth N.; Toste, F. Dean
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 30
• Pages of publication: 9682 - 9693
• a: 12.4162 ± 0.0005 Å
• b: 14.0091 ± 0.0006 Å
• c: 19.4439 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3382.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No