Information card for entry 1520026

Structure parameters

• Common name: [PtMe(CNXyl)2(TXPB-Me)]
• Chemical name: [PtMe(CNXyl)2(TXPB-Me)]
• Formula: C69.6 H77.2 B Cl5.2 N2 P Pt S
• Calculated formula: C69.604 H77.208 B Cl5.208 N2 P Pt S
• SMILES: [Pt]([P](c1ccccc1)(c1cc(cc2C(c3cc(cc(c3Sc12)[B](c1ccccc1)(c1ccccc1)C)C(C)(C)C)(C)C)C(C)(C)C)c1ccccc1)(C)(C#[N]c1c(C)cccc1C)C#[N]c1c(cccc1C)C.ClCCl.ClCCl.ClCCl
• Title of publication: Bis-hydrocarbyl Platinum(II) Ambiphilic Ligand Complexes: Alkyl‒Aryl Exchange between Platinum and Boron
• Authors of publication: Cowie, Bradley E.; Emslie, David J. H.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2737
• a: 13.4975 ± 0.0014 Å
• b: 13.6666 ± 0.0014 Å
• c: 19.036 ± 0.002 Å
• α: 93.409 ± 0.002°
• β: 105.034 ± 0.002°
• γ: 95.788 ± 0.002°
• Cell volume: 3360.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No