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Information card for entry 7006557
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Coordinates | 7006557.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H10 Fe N4 O6 |
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Calculated formula | C10 H10 Fe N4 O6 |
Title of publication | Versatility in the binding of 2-pyrazinecarboxylate with iron. Synthesis, structure and magnetic properties of iron(II) and iron(III) complexes. |
Authors of publication | Tanase, Stefania; Marqués Gallego, Patricia; Bouwman, Elisabeth; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande; de Gelder, René; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 13 |
Pages of publication | 1675 - 1684 |
a | 9.4301 ± 0.0002 Å |
b | 11.0425 ± 0.0004 Å |
c | 12.1683 ± 0.0003 Å |
α | 90° |
β | 91.185 ± 0.002° |
γ | 90° |
Cell volume | 1266.84 ± 0.06 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 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 | 0.0877 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.0658 |
Weighted residual factors for all reflections included in the refinement | 0.0743 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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