Information card for entry 7702787

Structure parameters

• Formula: C20 H12 B2 Fe2 O8
• Calculated formula: C20 H12 B2 Fe2 O8
• Title of publication: Linking of metal centres through boryl ligands: synthesis, spectroscopic and structural characterisation of symmetrically bridged boryl complexes
• Authors of publication: Aldridge, Simon; Calder, Richard J.; Rossin, Andrea; Dickinson, Anthony A.; Willock, David J.; Jones, Cameron; Evans, David J.; Steed, Jonathan W.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 2020
• a: 6.4542 ± 0.0003 Å
• b: 12.2543 ± 0.0004 Å
• c: 12.418 ± 0.0006 Å
• α: 90°
• β: 93.604 ± 0.003°
• γ: 90°
• Cell volume: 980.22 ± 0.07 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: 0.0315
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No