Information card for entry 4086175

Structure parameters

• Formula: C18 H32 Cl2 N4 Pt
• Calculated formula: C18 H32 Cl2 N4 Pt
• SMILES: [Pt](Cl)(Cl)(=C1N(C=CN1C(C)C)C(C)C)=C1N(C=CN1C(C)C)C(C)C
• 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: 8.6775 ± 0.0008 Å
• b: 13.043 ± 0.0012 Å
• c: 18.9916 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2149.5 ± 0.3 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0137
• Residual factor for significantly intense reflections: 0.0134
• Weighted residual factors for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No