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Information card for entry 7061482
Preview
Coordinates | 7061482.cif |
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Original paper (by DOI) | HTML |
Formula | C60.5 H48.5 B Cl10.5 Fe N14 O7 Zr |
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Calculated formula | C60.5 H48.5 B Cl10.5 Fe N14 O7 Zr |
Title of publication | Synthesis and reactivity of the apically functionalized (pseudo)macrobicyclic iron(ii) tris-dioximates and their hybrid phthalocyaninatoclathrochelate derivatives comprising reactive and vector terminal groups |
Authors of publication | Chuprin, Alexander S.; Dudkin, Semyon V.; Belova, Svetlana A.; Lebed, Ekaterina G.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.; Voloshin, Yan Z. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 22 |
Pages of publication | 10863 - 10877 |
a | 13.398 ± 0.003 Å |
b | 15.25 ± 0.003 Å |
c | 17.404 ± 0.004 Å |
α | 111.16 ± 0.03° |
β | 94.87 ± 0.03° |
γ | 92.81 ± 0.03° |
Cell volume | 3292.1 ± 1.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.095 |
Residual factor for significantly intense reflections | 0.081 |
Weighted residual factors for significantly intense reflections | 0.1652 |
Weighted residual factors for all reflections included in the refinement | 0.1737 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.80246 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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