Information card for entry 4085117

Structure parameters

• Formula: C86 H82 Br2 O7 Yb2
• Calculated formula: C86 H82 Br2 O7 Yb2
• Title of publication: Bulky Group 2 Octaphenylmetallocenes and Direct Access to Calcium and Ytterbium Pseudo-Grignard Complexes
• Authors of publication: Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Kelly, Rory P.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2369
• a: 11.3758 ± 0.0004 Å
• b: 12.5225 ± 0.0005 Å
• c: 14.3701 ± 0.0005 Å
• α: 93.069 ± 0.002°
• β: 90.738 ± 0.002°
• γ: 115.19 ± 0.002°
• Cell volume: 1848.3 ± 0.12 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No