Information card for entry 4085116

Structure parameters

• Formula: C86 H98 Br2 Ca2 O7
• Calculated formula: C86 H98 Br2 Ca2 O7
• 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: 11.3598 ± 0.0006 Å
• b: 12.5296 ± 0.0009 Å
• c: 14.3526 ± 0.0007 Å
• α: 92.999 ± 0.003°
• β: 90.558 ± 0.002°
• γ: 115.076 ± 0.002°
• Cell volume: 1846.63 ± 0.19 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 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: 0.0495
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No