Information card for entry 7031510

Structure parameters

• Common name: (tBuP(N-H)N)PtMe2
• Chemical name: (tBuP(N-H)N)PtMe2
• Formula: C15 H29 N2 P Pt
• Calculated formula: C15 H29 N2 P Pt
• SMILES: CC(C)(C)[P]1(C(C)(C)C)Nc2cccc[n]2[Pt]1(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: 14.4311 ± 0.0004 Å
• b: 8.6437 ± 0.0002 Å
• c: 13.5536 ± 0.0003 Å
• α: 90°
• β: 95.83 ± 0.001°
• γ: 90°
• Cell volume: 1681.91 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0537
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No