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Information card for entry 7005719
Preview
Coordinates | 7005719.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H10 Fe O6 |
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Calculated formula | C11 H10 Fe O6 |
SMILES | [Fe]1234(C#[O])(C#[O])([cH]5[cH]4[cH]3[cH]2[c]15C(=O)OC)C(=O)OC |
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 | 6.5711 ± 0.0014 Å |
b | 12.667 ± 0.003 Å |
c | 14.092 ± 0.003 Å |
α | 90° |
β | 97.571 ± 0.004° |
γ | 90° |
Cell volume | 1162.7 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0387 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0762 |
Weighted residual factors for all reflections included in the refinement | 0.0802 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/7005719.html
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