Information card for entry 7107952

Structure parameters

• Formula: C22 H32 Cl2 Mg2 N2 O3
• Calculated formula: C22 H32 Cl2 Mg2 N2 O3
• SMILES: c1(ccccn1)[Mg]([n]1c([Mg]([O]2CCCC2)Cl)cccc1)([O]1CCCC1)Cl.O1CCCC1
• Title of publication: The elusive tripodal tris(2-pyridyl)borate ligand: a strongly coordinating tetraarylborate
• Authors of publication: Chengzhong Cui; Roger A. Lalancette; Frieder Jakle
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6930
• a: 17.1131 ± 0.0002 Å
• b: 17.1131 ± 0.0002 Å
• c: 18.5626 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5436.21 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No