Information card for entry 4067316

Structure parameters

• Formula: C20 H24 Cl N3 O Pt
• Calculated formula: C20 H24 Cl N3 O Pt
• SMILES: [Pt]123(Cl)(=C4N(C=CN4C)c4ccccc4C#N)[CH]4CC[CH]1=[CH]2CC[CH]3=4OC
• 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: 7.8325 ± 0.0008 Å
• b: 10.162 ± 0.0007 Å
• c: 14.027 ± 0.0016 Å
• α: 69.53 ± 0.006°
• β: 85.66 ± 0.004°
• γ: 68.29 ± 0.005°
• Cell volume: 969.92 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No