Information card for entry 7020669

Structure parameters

• Formula: C22 H22 B2 Fe2 O2
• Calculated formula: C22 H22 B2 Fe2 O2
• Title of publication: Synthesis and supramolecular assembly of the bifunctional borinic acid [1,2-fcB(OH)]2.
• Authors of publication: Thilagar, Pakkirisamy; Murillo, Didier; Chen, Jiawei; Jäkle, Frieder
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 665 - 670
• a: 10.1632 ± 0.0003 Å
• b: 11.6968 ± 0.0004 Å
• c: 16.2939 ± 0.0005 Å
• α: 90°
• β: 104.347 ± 0.002°
• γ: 90°
• Cell volume: 1876.56 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No