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Information card for entry 7702381
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Coordinates | 7702381.cif |
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Original paper (by DOI) | HTML |
Chemical name | Tetracyanoethene - bis(Benzene-1,2-diolato) -diborane adduct |
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Formula | C18 H8 B2 N4 O4 |
Calculated formula | C18 H8 B2 N4 O4 |
Title of publication | Crystalline TCNQ and TCNE adducts of the diborane(4) compounds B2(1,2-E2C6H4)2 (E = O or S) |
Authors of publication | Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 13 |
Pages of publication | 2127 |
a | 5.962 ± 0.003 Å |
b | 6.024 ± 0.004 Å |
c | 12.686 ± 0.006 Å |
α | 97.88 ± 0.02° |
β | 97.66 ± 0.03° |
γ | 108.91 ± 0.03° |
Cell volume | 419.2 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0758 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for all reflections | 0.1516 |
Weighted residual factors for significantly intense reflections | 0.1298 |
Goodness-of-fit parameter for all reflections | 1.184 |
Goodness-of-fit parameter for significantly intense reflections | 1.13 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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