Information card for entry 4075225

Structure parameters

• Formula: C21.5 H31 B2 Cl F4 N6 O Pt
• Calculated formula: C21.5 H31 B2 Cl F4 N6 O Pt
• Title of publication: Ethylene Insertion in Tp‘Pt(Ph)(η2-CH2CH2) and C−H Activation of Ethylbenzene to Form a Platinum(IV)ortho-Metalated Phenethyl Complex
• Authors of publication: MacDonald, Margaret G.; Kostelansky, Cynthia Norris; White, Peter S.; Templeton, Joseph L.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4560
• a: 9.1331 ± 0.0002 Å
• b: 12.6495 ± 0.0003 Å
• c: 24.9106 ± 0.0005 Å
• α: 102.218 ± 0.001°
• β: 95.437 ± 0.001°
• γ: 96.559 ± 0.001°
• Cell volume: 2773.27 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No