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Information card for entry 7101350
Preview
Coordinates | 7101350.cif |
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Original paper (by DOI) | HTML |
Formula | C5 H9 B7 O4 Ru |
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Calculated formula | C5 H9 B7 O4 Ru |
SMILES | [Ru]1234([C]56(O)[BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[CH]691)(C#[O])(C#[O])C#[O] |
Title of publication | Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)} |
Authors of publication | A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 32 |
a | 7.6548 ± 0.0007 Å |
b | 11.6193 ± 0.0012 Å |
c | 19.6123 ± 0.0019 Å |
α | 93.716 ± 0.005° |
β | 98.033 ± 0.005° |
γ | 90.739 ± 0.005° |
Cell volume | 1723.2 ± 0.3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.0456 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.0668 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/7101350.html
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