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Information card for entry 7008286
Preview
Coordinates | 7008286.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H34 B10 Ru |
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Calculated formula | C24 H34 B10 Ru |
SMILES | [Ru]123456789%10([C]%11%12([BH]%13%141[BH]1%15%16%12[BH]%122%11[BH]2%114[BH]41%12[BH]1%12%16[BH]%16%14%15[C]%143%13([BH]352[BH]1%16%14[BH]%114%123)c1ccccc1)c1ccccc1)[c]1([cH]6[cH]7[c]8([cH]9[cH]%101)C)C(C)C |
Title of publication | Synthetic, spectroscopic, computational and structural studies of some 13-vertex ruthenacarboranes. |
Authors of publication | Burke, Anthony; Ellis, David; Ferrer, Daniel; Ormsby, Daniel L.; Rosair, Georgina M.; Welch, Alan J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 9 |
Pages of publication | 1716 - 1721 |
a | 12.1178 ± 0.0014 Å |
b | 18.2437 ± 0.0018 Å |
c | 23.447 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5183.5 ± 1 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0422 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for significantly intense reflections | 0.0701 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7008286.html
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Users of the data should acknowledge the original authors of the
structural data.