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Information card for entry 7005721
Preview
Coordinates | 7005721.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H14 Fe2 O8 |
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Calculated formula | C18 H14 Fe2 O8 |
SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]162345(C#[O])C(=O)[Fe]23456(C#[O])(C1=O)[c]1([cH]2[cH]3[cH]4[cH]51)C(=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 | 6.525 ± 0.003 Å |
b | 6.757 ± 0.003 Å |
c | 10.099 ± 0.005 Å |
α | 87.774 ± 0.008° |
β | 86.467 ± 0.008° |
γ | 73.748 ± 0.007° |
Cell volume | 426.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0778 |
Residual factor for significantly intense reflections | 0.0677 |
Weighted residual factors for significantly intense reflections | 0.1856 |
Weighted residual factors for all reflections included in the refinement | 0.1893 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.296 |
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/7005721.html
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Users of the data should acknowledge the original authors of the
structural data.