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Information card for entry 4122330
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Coordinates | 4122330.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [{Tl{B(NArCH)2}}2{C6H10}{B(NArCH)2}].0.5(C5H12) |
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Formula | C85.25 H121 B3 N6 Tl |
Calculated formula | C85.25 H121 B3 N6 Tl |
Title of publication | Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals. |
Authors of publication | Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 31 |
Pages of publication | 10902 - 10905 |
a | 31.1097 ± 0.0002 Å |
b | 12.833 ± 0.00013 Å |
c | 21.5279 ± 0.00009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8594.6 ± 0.11 Å3 |
Cell temperature | 150 ± 0.4 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0262 |
Residual factor for significantly intense reflections | 0.0242 |
Weighted residual factors for all reflections | 0.0292 |
Weighted residual factors for significantly intense reflections | 0.026 |
Weighted residual factors for all reflections included in the refinement | 0.0253 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1254 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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