Information card for entry 4067076

Structure parameters

• Formula: C14 H19 I N2 Pt
• Calculated formula: C14 H19 I N2 Pt
• SMILES: [Pt]1(I)([n]2ccccc2c2[n]1cccc2)(C)(C)CC
• Title of publication: Oxidative Addition of Ethyl Iodide to a Dimethylplatinum(II) Complex: Unusually Large Kinetic Isotope Effects and Their Transition-State Implications
• Authors of publication: Nabavizadeh, S. Masoud; Habibzadeh, Sepideh; Rashidi, Mehdi; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6359
• a: 9.9002 ± 0.0003 Å
• b: 11.7696 ± 0.0004 Å
• c: 13.4227 ± 0.0004 Å
• α: 88.49 ± 0.002°
• β: 88.747 ± 0.002°
• γ: 85.119 ± 0.002°
• Cell volume: 1557.52 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No