Information card for entry 4086883

Structure parameters

• Formula: C12 H17 Cl2 N Pt
• Calculated formula: C12 H17 Cl2 N Pt
• SMILES: [Pt]1(Cl)(Cl)([n]2ccccc2)[C](=C(C)C)=[C]1(C)C
• Title of publication: Twists and Turns of Platinum-Allene Complexes: NMR Techniques for the Study of the Dynamic Behavior in Solution
• Authors of publication: Quirós, M. Teresa; Muñoz, María Paz; Christensen, Jeppe; Coles, Simon J.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 2
• Pages of publication: 318
• a: 7.7902 ± 0.0002 Å
• b: 7.8501 ± 0.0002 Å
• c: 11.5978 ± 0.0003 Å
• α: 101.272 ± 0.002°
• β: 104.328 ± 0.002°
• γ: 91.438 ± 0.002°
• Cell volume: 671.92 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0192
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No