Information card for entry 4078008

Structure parameters

• Formula: C19 H34 Mg O2
• Calculated formula: C19 H34 Mg O2
• SMILES: C[Mg]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements
• Authors of publication: Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3119
• a: 8.2803 ± 0.0012 Å
• b: 15.095 ± 0.002 Å
• c: 15.892 ± 0.003 Å
• α: 80.445 ± 0.013°
• β: 83.399 ± 0.012°
• γ: 87.613 ± 0.012°
• Cell volume: 1945.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No