Information card for entry 7012819

Structure parameters

• Formula: C57 H42 Ge Na O3
• Calculated formula: C57 H42 Ge Na O3
• SMILES: [O]1([Ge]([O]([Na]12)c1c(cccc1c1ccccc1)c1ccccc1)[O]2c1c(cccc1c1ccccc1)c1ccccc1)c1c(c2ccccc2)cccc1c1ccccc1.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: 20.7127 ± 0.0003 Å
• b: 20.7127 ± 0.0003 Å
• c: 20.7127 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8886.1 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No