Information card for entry 4086172

Structure parameters

• Formula: C29 H35 N2 P Pt
• Calculated formula: C29 H35 N2 P Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(=C2N(C=CN2C(C)C)C(C)C)[CH2]=[CH2]1
• Title of publication: From NHC to Imidazolyl Ligand: Synthesis of Platinum and Palladium Complexes d10-[M(NHC)2] (M = Pd, Pt) of the NHC 1,3-Diisopropylimidazolin-2-ylidene
• Authors of publication: Hering, Florian; Radius, Udo
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3236
• a: 9.863 ± 0.002 Å
• b: 14.948 ± 0.003 Å
• c: 17.86 ± 0.004 Å
• α: 90°
• β: 92.716 ± 0.008°
• γ: 90°
• Cell volume: 2630.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.103
• 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