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Information card for entry 4325441
Preview
Coordinates | 4325441.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H25 Cl2 Fe O10 n5 |
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Calculated formula | C25 H25 Cl Fe N5 O6 |
SMILES | [Fe]1234([n]5ccccc5C(c5cccc[n]15)[N]2(Cc1cccc[n]31)Cc1cccc[n]41)C#[O].Cl(=O)(=O)(=O)[O-].OC |
Title of publication | Synthesis, Characterization, and Reactivity of the Stable Iron Carbonyl Complex [Fe(CO)(N4Py)](ClO4)2: Photoactivated Carbon Monoxide Release, Growth Inhibitory Activity, and Peptide Ligation |
Authors of publication | Casey S. Jackson; Sara Schmitt; Q. Ping Dou; Jeremy J. Kodanko |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5336 - 5338 |
a | 17.45 ± 0.003 Å |
b | 12.6602 ± 0.0017 Å |
c | 12.6617 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2797.2 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0718 |
Residual factor for significantly intense reflections | 0.0489 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
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 | No |
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