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Information card for entry 7005720
Preview
Coordinates | 7005720.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H7 Cl4 Fe2 O5 |
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Calculated formula | C10 H7 Cl4 Fe2 O5 |
SMILES | [Fe]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[c]15C(=O)OC.[Fe](Cl)(Cl)(Cl)[Cl-] |
Title of publication | [(Eta-C5H4R)Fe(CO)2X], X = Cl, Br, I, NO3, CO2Me and [(eta-C5H4R)Fe(CO)3]+, R = (CH2)nCO2Me (n = 0-2), and CO2CH2CH2OH: a new group of CO-releasing molecules. |
Authors of publication | Scapens, David; Adams, Harry; Johnson, Tony R.; Mann, Brian E.; Sawle, Philip; Aqil, Rehan; Perrior, Trevor; Motterlini, Roberto |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 43 |
Pages of publication | 4962 - 4973 |
a | 7.0283 ± 0.0006 Å |
b | 23.8 ± 0.002 Å |
c | 9.6737 ± 0.0008 Å |
α | 90° |
β | 90.931 ± 0.004° |
γ | 90° |
Cell volume | 1617.9 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0203 |
Residual factor for significantly intense reflections | 0.0192 |
Weighted residual factors for significantly intense reflections | 0.0528 |
Weighted residual factors for all reflections included in the refinement | 0.0534 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/7005720.html
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