Information card for entry 7020666

Structure parameters

• Formula: C20 H18 B2 Fe2 O2
• Calculated formula: C20 H18 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: 8.8864 ± 0.0001 Å
• b: 9.7707 ± 0.0001 Å
• c: 10.0786 ± 0.0001 Å
• α: 106.243 ± 0.001°
• β: 91.624 ± 0.001°
• γ: 96.606 ± 0.001°
• Cell volume: 832.898 ± 0.016 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No