Information card for entry 1518835

Structure parameters

• Formula: C12 H15 F6 I Pt
• Calculated formula: C12 H15 F6 I Pt
• SMILES: [Pt]123(C(F)(F)C(F)(F)C(I)(F)F)(C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Stepwise Conversion of a Platinum Dimethyl Complex to a Perfluorometallacyclobutane Derivative
• Authors of publication: Xu, Long; Solowey, Douglas P.; Vicic, David A.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 3474
• a: 11.758 ± 0.0009 Å
• b: 8.484 ± 0.0007 Å
• c: 15.5086 ± 0.0013 Å
• α: 90°
• β: 108.036 ± 0.0017°
• γ: 90°
• Cell volume: 1471 ± 0.2 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.0862
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2102
• Weighted residual factors for all reflections included in the refinement: 0.2387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No