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Information card for entry 2009302
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Coordinates | 2009302.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2,3-dicarbomethoxy-1,2-butadienylirontricarbonyl |
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Formula | C11 H10 Fe O7 |
Calculated formula | C11 H10 Fe O7 |
SMILES | [Fe]123(C#[O])(C#[O])([C](C(=O)OC)(=[CH2]1)[CH]2(=[CH2]3)C(=O)OC)C#[O] |
Title of publication | Tricarbonyliron complexes derived from dimethyl 1,3-butadiene-2,3-dicarboxylate: formation of [Fe(CO)~3~]~2~‒dimethyl 1,3-butadiene-2,3-dicarboxylate |
Authors of publication | Kongsaeree, Palangpon; Tanboriphan, Suthad; Tarnchompoo, Bongkoch; Thebtaranonth, Yodhathai |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 12 |
Pages of publication | 2007 - 2010 |
a | 6.7367 ± 0.0005 Å |
b | 13.6547 ± 0.0005 Å |
c | 14.2727 ± 0.0004 Å |
α | 90° |
β | 93.392 ± 0.005° |
γ | 90° |
Cell volume | 1310.61 ± 0.11 Å3 |
Cell temperature | 295 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0492 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for all reflections included in the refinement | 0.1226 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.862 |
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/2009302.html
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