Information card for entry 4067318

Structure parameters

• Formula: C29.5 H37 B Cl2 F4 N2 Pt
• Calculated formula: C29.5 H37 B Cl2 F4 N2 Pt
• SMILES: [Pt]123(Cl)(=C4N(C=CN4c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.[B](F)(F)(F)[F-].ClCCl
• Title of publication: Palladium(II) and Platinum(II) Complexes Featuring a Nitrile-Functionalized N-Heterocyclic Carbene Ligand
• Authors of publication: O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 570
• a: 23.9715 ± 0.0005 Å
• b: 8.226 ± 0.0001 Å
• c: 30.7848 ± 0.0007 Å
• α: 90°
• β: 99.703 ± 0.0008°
• γ: 90°
• Cell volume: 5983.6 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No