Information card for entry 7026006

Structure parameters

• Formula: C140 H212 F8 O28 Sr10
• Calculated formula: C124 H172 F8 O20 Sr10
• SMILES: [Sr]12345[F]6[Sr]789%10[F]%11[Sr]%12%13%14([F]2[Sr]2%15%16%17[F]%18[Sr]%19%206([O]([Sr]6([O]3c3c(cc(cc3C)C)C)([F]52%19)([O]%17c2c(cc(cc2C)C)C)[O](C)CC[O]6C)c2c(cc(cc2C)C)C)[O]([Sr]23([O]([Sr]5%11%18([O]([Sr]6([F]%12%155)([O]%13c5c(cc(cc5C)C)C)([O]%16c5c(cc(cc5C)C)C)[O](C)CC[O]6C)c5c(cc(cc5C)C)C)[F]8%202)c2c(cc(cc2C)C)C)([O]9c2c(cc(cc2C)C)C)[O](C)CC[O]3C)c2c(cc(cc2C)C)C)[F]47[Sr]2([O]1c1c(cc(cc1C)C)C)([O]%14c1c(cc(cc1C)C)C)([O]%10c1c(cc(cc1C)C)C)[O](C)CC[O]2C
• Title of publication: Synthesis of fluoro(aryloxo)alkaline earth metal cages by C-F bond activation.
• Authors of publication: Deacon, Glen B.; Junk, Peter C.; Moxey, Graeme J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 24
• Pages of publication: 5620 - 5622
• a: 22.4048 ± 0.0009 Å
• b: 23.1872 ± 0.0008 Å
• c: 28.5979 ± 0.0009 Å
• α: 90°
• β: 98.327 ± 0.002°
• γ: 90°
• Cell volume: 14700.1 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1974
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No