Information card for entry 7031509

Structure parameters

• Common name: (tBuP(O)C)PtMe(CNtBu)
• Chemical name: (tBuP(O)C)PtMe(CNtBu)
• Formula: C19 H33 N2 O P Pt
• Calculated formula: C19 H33 N2 O P Pt
• SMILES: [Pt]1([P](Oc2ncccc12)(C(C)(C)C)C(C)(C)C)(C#[N]C(C)(C)C)C
• Title of publication: Hemilability of P(X)N-type ligands (X = O, N-H): rollover cyclometalation and benzene C-H activation from (P(X)N)PtMe2 complexes.
• Authors of publication: Scheuermann, Margaret L.; Grice, Kyle A.; Ruppel, Matthew J.; Roselló-Merino, Marta; Kaminsky, Werner; Goldberg, Karen I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 12018 - 12025
• a: 8.6571 ± 0.0012 Å
• b: 13.566 ± 0.002 Å
• c: 18.381 ± 0.003 Å
• α: 90°
• β: 98.684 ± 0.008°
• γ: 90°
• Cell volume: 2134 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No