Information card for entry 7020667

Structure parameters

• Formula: C23 H24 B2 Fe2 O3
• Calculated formula: C23 H24 B2 Fe2 O3
• 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: 10.6092 ± 0.0002 Å
• b: 10.8863 ± 0.0003 Å
• c: 10.9983 ± 0.0002 Å
• α: 100.045 ± 0.001°
• β: 116.13 ± 0.001°
• γ: 106.551 ± 0.001°
• Cell volume: 1024.66 ± 0.04 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: 0.0348
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No