Information card for entry 7709561

Structure parameters

• Chemical name: [Pt((CH3)2CCHN(o-C6H4)PPh2)2]
• Formula: C44 H42 N2 P2 Pt
• Calculated formula: C44 H42 N2 P2 Pt
• SMILES: [Pt]12([P](c3c(N1C=C(C)C)cccc3)(c1ccccc1)c1ccccc1)[P](c1ccccc1N2C=C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Changes in ligand coordination mode induce bimetallic C–C coupling pathways
• Authors of publication: Jackman, Kyle M. K.; Liang, Guangchao; Boyle, Paul D.; Zimmerman, Paul M.; Blacquiere, Johanna M.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.551 ± 0.004 Å
• b: 13.574 ± 0.004 Å
• c: 17.328 ± 0.004 Å
• α: 90°
• β: 90.105 ± 0.017°
• γ: 90°
• Cell volume: 3657.7 ± 1.7 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No