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Information card for entry 7707339
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Coordinates | 7707339.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2-[(2,6-di(pyrazol-1-yl)pyridine)-4-carboxamido]ethyl (R)-lipoate (L2) |
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Formula | C22 H26 N6 O3 S2 |
Calculated formula | C22 H26 N6 O3 S2 |
Title of publication | The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes. |
Authors of publication | Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 21 |
Pages of publication | 7417 - 7426 |
a | 5.0813 ± 0.0001 Å |
b | 12.249 ± 0.0004 Å |
c | 36.8728 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2294.99 ± 0.1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0417 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0862 |
Weighted residual factors for all reflections included in the refinement | 0.0892 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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