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Information card for entry 1549384
Preview
Coordinates | 1549384.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H78 Co Li2 Ni O18 |
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Calculated formula | C48 H78 Co Li2 Ni O18 |
Title of publication | A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules. |
Authors of publication | Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 21 |
Pages of publication | 4736 - 4745 |
a | 11.4322 ± 0.0011 Å |
b | 12.2773 ± 0.0011 Å |
c | 12.5149 ± 0.0012 Å |
α | 103.535 ± 0.002° |
β | 107.265 ± 0.002° |
γ | 110.653 ± 0.002° |
Cell volume | 1452.5 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0391 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0881 |
Weighted residual factors for all reflections included in the refinement | 0.0905 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.41328 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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