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Information card for entry 4124340
Preview
Coordinates | 4124340.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H18 B0.72 Be0.28 O4 |
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Calculated formula | C28 H18 B0.721 Be0.279 O4 |
Title of publication | Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals. |
Authors of publication | Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 31 |
Pages of publication | 10000 - 10008 |
a | 7.4835 ± 0.0003 Å |
b | 23.7498 ± 0.0011 Å |
c | 11.2814 ± 0.0005 Å |
α | 90° |
β | 103.425 ± 0.001° |
γ | 90° |
Cell volume | 1950.27 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0729 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0772 |
Weighted residual factors for all reflections included in the refinement | 0.0882 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4124340.html
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Users of the data should acknowledge the original authors of the
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