Information card for entry 4085114

Structure parameters

• Formula: C58 H42 Mg
• Calculated formula: C58 H42 Mg
• SMILES: [Mg]12345678([cH]9[c]1(c1ccccc1)[c]2([c]3([c]49c1ccccc1)c1ccccc1)c1ccccc1)[cH]1[c]6([c]7([c]8([c]15c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• 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: 8.204 ± 0.0016 Å
• b: 10.755 ± 0.002 Å
• c: 12.969 ± 0.003 Å
• α: 66.47 ± 0.03°
• β: 76.5 ± 0.03°
• γ: 87.23 ± 0.03°
• Cell volume: 1018.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No