Information card for entry 1518839

Structure parameters

• Formula: C21 H24 F6 N2 Pt
• Calculated formula: C21 H24 F6 N2 Pt
• SMILES: [Pt]123([n]4c(c5[n]1ccc(c5)C(C)(C)C)cc(cc4)C(C)(C)C)[C](F)(F)=[C]2(F)(F)C3(F)F
• 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: 9.8403 ± 0.0011 Å
• b: 16.142 ± 0.0018 Å
• c: 13.3723 ± 0.0015 Å
• α: 90°
• β: 96.328 ± 0.002°
• γ: 90°
• Cell volume: 2111.1 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No