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Information card for entry 4069244
Preview
Coordinates | 4069244.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H21 Br5 Mo2 O6 |
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Calculated formula | C17 H21 Br5 Mo2 O6 |
SMILES | [Mo]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)([cH]1[cH]5[cH]6[cH]7[c]81CCC(=O)OCC)(C#[O])C#[O].[Mo](=O)([OH2])(Br)(Br)(Br)Br.Br |
Title of publication | Ring-Functionalized Molybdenocene Complexes |
Authors of publication | Honzíček, Jan; Mukhopadhyay, Abhik; Santos-Silva, Teresa; Romão, Maria J.; Romão, Carlos C. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 9 |
Pages of publication | 2871 |
a | 8.3871 ± 0.0005 Å |
b | 9.8162 ± 0.0005 Å |
c | 16.1219 ± 0.0009 Å |
α | 102.907 ± 0.002° |
β | 102.697 ± 0.002° |
γ | 97.302 ± 0.003° |
Cell volume | 1240.28 ± 0.12 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0431 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0653 |
Weighted residual factors for all reflections included in the refinement | 0.0781 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/4069244.html
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Users of the data should acknowledge the original authors of the
structural data.