Information card for entry 7012820

Structure parameters

• Formula: C60 H45 Ge Li O3
• Calculated formula: C60 H45 Ge Li O3
• SMILES: [Ge]([O]1c2c(cccc2c2ccccc2)c2ccccc2)([O]2c3c(cccc3c3ccccc3)c3ccccc3)[O][Li]12c1c(cccc1c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Synthesis and structures of the group 1 metal/germanium cage complexes [M(µ-OC6H3Ph2-2,6)3Ge] (M = Li, Na, K, Rb, Cs); periodic trends and alkali metal dependent arene bonding
• Authors of publication: Weinert, Charles S.; Fanwick, Phillip E.; Rothwell, Ian P.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1795
• a: 15.7846 ± 0.0006 Å
• b: 15.7846 ± 0.0006 Å
• c: 15.839 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3417.6 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No