Information card for entry 7046165

Structure parameters

• Formula: C84 H130 Ge10 Na2 Ni4 O36
• 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 Ni₄Na₂-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 ų
• 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