Information card for entry 7003612

Structure parameters

• Formula: C78 H210 Cu Ge18 Li O6 Si24
• Calculated formula: C78 H210 Cu Ge18 Li O6 Si24
• SMILES: [Cu]1234([Ge]56[Ge]78([Ge]9%10[Ge]%11([Ge]15[Ge]16([Ge]89[Ge]%10%111)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Ge]27)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Ge]12[Ge]54[Ge]41([Ge]16[Ge]75([Ge]3[Ge]32([Ge]41[Ge]673)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: [Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as unusual building blocks for a supramolecular chemistry
• Authors of publication: Schenk, Christian; Henke, Florian; Santiso-Quiñones, Gustavo; Krossing, Ingo; Schnepf, Andreas
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4436 - 4441
• a: 15.6548 ± 0.0018 Å
• b: 15.6548 ± 0.0018 Å
• c: 15.6548 ± 0.0018 Å
• α: 97.309 ± 0.017°
• β: 97.309 ± 0.017°
• γ: 97.309 ± 0.017°
• Cell volume: 3734.2 ± 0.8 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No