Information card for entry 4077477

Structure parameters

• Formula: C84 H164 O12 P4 Si8 Yb4
• Calculated formula: C68 H124 O8 P4 Si8 Yb4
• SMILES: [Yb]1234([O]56c7c([P]3(C([Si](C)(C)C)[Si](C)(C)C)[Yb]386([O]62c2c([P]4(C([Si](C)(C)C)[Si](C)(C)C)[Yb]496([O]61c1c([P]9(C([Si](C)(C)C)[Si](C)(C)C)[Yb]956([O]34c3c([P]89C([Si](C)(C)C)[Si](C)(C)C)cccc3)[O]3CCCC3)cccc1)[O]1CCCC1)cccc2)[O]1CCCC1)cccc7)[O]1CCCC1
• Title of publication: Synthesis and Structural Characterization of the First Lanthanide(II) Cuboidal Cluster. Unexpected C−O Activation by an Unchanged Ytterbium(II) Center
• Authors of publication: Clegg, William; Izod, Keith; Liddle, Stephen T.; O'Shaughness, Paul; Sheffield, Joanne M.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2090
• a: 20.323 ± 0.004 Å
• b: 20.323 ± 0.004 Å
• c: 12.743 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5263.2 ± 1.9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No