Information card for entry 4109551

Structure parameters

• Formula: C64 H80 B2 N2 O1.5 Pt
• Calculated formula: C58 H60 B2 N2 Pt
• SMILES: B(c1ccc2c3ccc(B(c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)c[n]3[Pt]([n]2c1)(c1ccccc1)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Enhancing Electron Accepting Ability of Triarylboron via π-Conjugation with 2,2'-Bipy and Metal Chelation: 5,5'-Bis(BMes2)-2,2'-bipy and Its Metal Complexes
• Authors of publication: Yi Sun; Nicole Ross; Shu-Bin Zhao; Krista Huszarik; Wen-Li Jia; Rui-Yao Wang; Donal Macartney; Suning Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7510 - 7511
• a: 24.9145 ± 0.0014 Å
• b: 13.3642 ± 0.0008 Å
• c: 18.6362 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6205.2 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No