Information card for entry 4070717

Structure parameters

• Formula: C23 H36 B Cl3 F4 N2 Pt Ru
• Calculated formula: C23 H36 B Cl3 F4 N2 Pt Ru
• SMILES: [Pt]12(Cl)[N](C[c]34[cH]5[Ru]6789%10%11%123([c]24[c]8([cH]7[cH]56)C[N]1(C)C)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)(C)C.[B](F)(F)(F)[F-].ClCCl
• Title of publication: η6-Coordination of a Ruthenium(II) Organometallic Fragment to the Arene Ring of N,C,N-Pincer Metal Complexes
• Authors of publication: Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; Koten, Gerard van; Klein Gebbink, Robertus J. M.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 159
• a: 9.7601 ± 0.0005 Å
• b: 19.3294 ± 0.0007 Å
• c: 14.7733 ± 0.0005 Å
• α: 90°
• β: 91.19 ± 0.002°
• γ: 90°
• Cell volume: 2786.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0191
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No