Information card for entry 4086183

Structure parameters

• Common name: {(n6-C6H3Me3)Pt[(Me(C2F5)2P]CH3+B(C6F5)4-
• Formula: C39 H18 B F30 P Pt
• Calculated formula: C39 H18 B F30 P Pt
• SMILES: [Pt]12345([P](C)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)(C)[c]6([cH]1[c]2([cH]3[c]4([cH]56)C)C)C.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and Structural Characterization of an Unusual Platinum π-Arene Complex: (η6-C6H3Me3)Pt[(C2F5)2PMe]Me+
• Authors of publication: Thapaliya, Bhusan; Debnath, Suman; Arulsamy, Navamoney; Roddick, Dean M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 4018
• a: 14.3275 ± 0.0005 Å
• b: 16.2723 ± 0.0005 Å
• c: 17.7781 ± 0.0006 Å
• α: 90°
• β: 98.722 ± 0.002°
• γ: 90°
• Cell volume: 4096.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No