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Information card for entry 2202615
Preview
Coordinates | 2202615.cif |
---|---|
Structure factors | 2202615.hkl |
Original IUCr paper | HTML |
Chemical name | Dicarbonyl(eta5-methylcyclopentadienyl){eta2- [tricarbonyl(eta6-styrene)chromium(0)]}manganese(I) |
---|---|
Formula | C19 H15 Cr Mn O5 |
Calculated formula | C19 H15 Cr Mn O5 |
SMILES | [Mn]1(C#[O])(C#[O])([cH]23)([cH]24)([cH]32)([cH]23)([c]34C)[CH2]=[CH]1[c]12[Cr]([cH]13)([cH]21)([cH]12)([cH]21)([cH]13)(C#[O])(C#[O])(C#[O]) |
Title of publication | Dicarbonyl(η^5^-methylcyclopentadienyl){η^2^-[tricarbonyl(η^6^-styrene)chromium(0)]}manganese(I) |
Authors of publication | Crocock, Barry; Long, Conor; Lyons, Michael; Howie, R. Alan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2003 |
Journal volume | 59 |
Journal issue | 10 |
Pages of publication | m931 - m933 |
a | 7.281 ± 0.004 Å |
b | 23.637 ± 0.014 Å |
c | 10.502 ± 0.005 Å |
α | 90° |
β | 99.19 ± 0.04° |
γ | 90° |
Cell volume | 1784.2 ± 1.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0787 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.0986 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2202615.html
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Users of the data should acknowledge the original authors of the
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