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Information card for entry 7046165
Preview
Coordinates | 7046165.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H130 Ge10 Na2 Ni4 O36 |
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Calculated formula | C84 H130 Ge10 Na2 Ni4 O36 |
SMILES | [Ge]12(O[Ni]34([OH2])[O]5[Ge](O1)([O]1[Ge]6([O]78[Ni]9%105([OH2])[O]54[Ge]4([O]%11[Ge]%12([O]([Ni]%137(O[Ge](O%12)([O]7[Ge]([O]%10%13)([O]([Ge](O9)(O4)c4ccccc4)[Na]%117([OH]CC)([OH]CC)[OH]CC)c4ccccc4)c4ccccc4)[OH2])[Ni]485(O[Ge](O6)([O]5[Ge]([O]34)([O]2[Na]15([OH]CC)([OH]CC)[OH]CC)c1ccccc1)c1ccccc1)[OH2])c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.OCC.OCC.OCC.OCC.OCC.OCC |
Title of publication | New Ni<sub>4</sub>Na<sub>2</sub>-phenylgermsesquioxane architecture: synthesis, structure and slow dynamic behaviour. |
Authors of publication | Kulakova, Alena N.; Bilyachenko, Alexey N.; Korlyukov, Alexander A.; Long, Jérôme; Levitsky, Mikhail M.; Shubina, Elena S.; Guari, Yannick; Larionova, Joulia |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 20 |
Pages of publication | 6893 - 6897 |
a | 15.328 ± 0.003 Å |
b | 22.205 ± 0.004 Å |
c | 16.163 ± 0.003 Å |
α | 90° |
β | 102.383 ± 0.003° |
γ | 90° |
Cell volume | 5373.2 ± 1.7 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 6 |
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 | 0.1408 |
Residual factor for significantly intense reflections | 0.0794 |
Weighted residual factors for significantly intense reflections | 0.1608 |
Weighted residual factors for all reflections included in the refinement | 0.2012 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7046165.html
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