Information card for entry 7107954

Structure parameters

• Formula: C57 H58 B2 Fe N6
• Calculated formula: C57 H58 B2 Fe N6
• 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: 18.0553 ± 0.0002 Å
• b: 10.0207 ± 0.0001 Å
• c: 26.1009 ± 0.0004 Å
• α: 90°
• β: 105.384 ± 0.001°
• γ: 90°
• Cell volume: 4553.15 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No