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Information card for entry 7101920
Preview
Coordinates | 7101920.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H25 B10 Co |
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Calculated formula | C19 H25 B10 Co |
SMILES | [Co]123456789([C]%10%11([BH]%12%131[BH]1%14%15%11[BH]%112%10[BH]2%104[BH]41%11[BH]1%11%15[BH]%15%13%14[BH]%133%12[BH]352[C]1%15%13([BH]%104%113)c1ccccc1)c1ccccc1)[cH]1[cH]6[cH]7[cH]8[cH]91 |
Title of publication | Unexpectedly facile isomerisation of [7,10-Ph2-7,10-nido-C2B10H10]2- to [7,9-Ph2-7,9-nido-C2B10H10]2-. |
Authors of publication | Zlatogorsky, Sergey; Ellis, David; Rosair, Georgina M; Welch, Alan J |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 21 |
Pages of publication | 2178 - 2180 |
a | 12.0447 ± 0.0008 Å |
b | 12.6676 ± 0.0008 Å |
c | 13.8241 ± 0.0008 Å |
α | 90° |
β | 104.129 ± 0.004° |
γ | 90° |
Cell volume | 2045.4 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1208 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1247 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
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/7101920.html
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Users of the data should acknowledge the original authors of the
structural data.