Information card for entry 7043833

Structure parameters

• Formula: C36 H59 B Mg N2 O3
• Calculated formula: C36 H59 B Mg N2 O3
• SMILES: [Mg]1([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)N(c2c(C(C)C)cccc2C(C)C)BN1c1c(C(C)C)cccc1C(C)C
• Title of publication: Bora-amidinate as a cooperative ligand in group 2 metal catalysis
• Authors of publication: Freitag, Benjamin; Fischer, Christian A.; Penafiel, Johanne; Ballmann, Gerd; Elsen, Holger; Färber, Christian; Piesik, Dirk F.; Harder, Sjoerd
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.5266 ± 0.0002 Å
• b: 17.9167 ± 0.0003 Å
• c: 18.7856 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3543 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No