Information card for entry 4085118

Structure parameters

• Formula: C102 H106 Br2 O4 Yb2
• Calculated formula: C102 H106 Br2 O4 Yb2
• SMILES: c1(ccccc1)[c]12[c]3([Yb]4561([O]1CCCC1)([O]1CCCC1)([Br][Yb]1789([cH]%10[c]1([c]7([c]8([c]9%10c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)([O]1CCCC1)([O]1CCCC1)[Br]6)[cH]2[c]5([c]34c1ccccc1)c1ccccc1)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• 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: 11.8774 ± 0.0004 Å
• b: 12.5527 ± 0.0004 Å
• c: 15.7359 ± 0.0005 Å
• α: 66.702 ± 0.001°
• β: 81.237 ± 0.002°
• γ: 83.161 ± 0.002°
• Cell volume: 2125.19 ± 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: 0.0249
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No