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Information card for entry 7008287
Preview
Coordinates | 7008287.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]%10[cH]9[c]8([cH]7[cH]61)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 | 8.011 ± 0.003 Å |
b | 13.616 ± 0.002 Å |
c | 11.955 ± 0.003 Å |
α | 90° |
β | 107.8 ± 0.03° |
γ | 90° |
Cell volume | 1241.6 ± 0.6 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0824 |
Weighted residual factors for all reflections included in the refinement | 0.0842 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/7008287.html
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Users of the data should acknowledge the original authors of the
structural data.