Information card for entry 4303363

Structure parameters

• Common name: A
• Formula: C40 H30 Cl N O2 P2 Pt
• Calculated formula: C40 H30 Cl N O2 P2 Pt
• SMILES: [Pt]12(Cl)[P](c3c4C2(O)c2c(C(=O)c4ccc3)cccc2[P]1(c1ccccc1)c1ccccc1)(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: 18.7678 ± 0.0006 Å
• b: 16.9665 ± 0.0006 Å
• c: 21.6485 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6893.4 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No