Information card for entry 4303362

Structure parameters

• Common name: 1
• Formula: C40 H30 Cl N P2 Pt
• Calculated formula: C40 H30 Cl N P2 Pt
• SMILES: [Pt]12(Cl)[P](c3cccc4cc5c(c2c34)c([P]1(c1ccccc1)c1ccccc1)ccc5)(c1ccccc1)c1ccccc1.N#CC
• Title of publication: Photooxidation of a Platinum-Anthracene Pincer Complex: Formation and Structures of PtII-Anthrone and -Ketal Complexes
• Authors of publication: Jian Hu; Huan Xu; Minh-Hai Nguyen; John H. K. Yip
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9684 - 9692
• a: 12.7731 ± 0.0006 Å
• b: 17.78 ± 0.0008 Å
• c: 14.4478 ± 0.0007 Å
• α: 90°
• β: 96.539 ± 0.001°
• γ: 90°
• Cell volume: 3259.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No