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Information card for entry 4074849
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4074849.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H26 N2 O10 Ru5 |
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Calculated formula | C39 H26 N2 O10 Ru5 |
SMILES | c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]3456([C]78([C]93(/C=C/c3ccccc3)[Ru]3%1025(C(=O)[Ru]289%10(C#[O])(C#[O])N143[Ru]13458672[c]2([cH]1[cH]3[cH]4[cH]5[cH]82)C)(C#[O])C#[O])c1ccccc1)(C#[O])C#[O] |
Title of publication | Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond |
Authors of publication | Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 6 |
Pages of publication | 1492 - 1499 |
a | 13.978 ± 0.006 Å |
b | 15.679 ± 0.007 Å |
c | 18.975 ± 0.008 Å |
α | 90° |
β | 111.098 ± 0.008° |
γ | 90° |
Cell volume | 3880 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0438 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0699 |
Weighted residual factors for all reflections included in the refinement | 0.077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
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/4074849.html
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Users of the data should acknowledge the original authors of the
structural data.