Information card for entry 4325000

Structure parameters

• Formula: C34 H42 N2 O3 Pt
• Calculated formula: C34 H42 N2 O3 Pt
• SMILES: [Pt]1([n]2c(c3[n]1ccc(c3)C(C)(C)C)cc(cc2)C(C)(C)C)(Oc1ccccc1)Oc1ccccc1.O1CCCC1
• Title of publication: Pt(II) and Pt(IV) Amido, Aryloxide, and Hydrocarbyl Complexes: Synthesis, Characterization, and Reaction with Dihydrogen and Substrates that Possess C-H Bonds
• Authors of publication: Joanna R. Webb; Colleen Munro-Leighton; Aaron W. Pierpont; Joshua T. Gurkin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; Jeffrey L. Petersen; Paul D. Boyle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4195 - 4211
• a: 9.0551 ± 0.0003 Å
• b: 11.7591 ± 0.0004 Å
• c: 14.6718 ± 0.0005 Å
• α: 96.155 ± 0.001°
• β: 102.157 ± 0.001°
• γ: 90.426 ± 0.001°
• Cell volume: 1517.69 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.65
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No