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Information card for entry 4109551
Preview
Coordinates | 4109551.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H80 B2 N2 O1.5 Pt |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/4109551.html
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Users of the data should acknowledge the original authors of the
structural data.