Information card for entry 7030839

Structure parameters

• Formula: C20 H20 B2 Fe2 O4
• Calculated formula: C20 H20 B2 Fe2 O4
• SMILES: B([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[c]6([cH]7[cH]82)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82B(O)O)(O)O
• Title of publication: Construction of covalent- and hydrogen-bonded assemblies from 1',1'''-biferrocenediboronic acid as a new organobimetallic building block.
• Authors of publication: Tahara, Keishiro; Akita, Tetsuhiro; Katao, Shohei; Tokunaga, Ken; Kikuchi, Jun-Ichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9579 - 9585
• a: 5.62751 ± 0.0001 Å
• b: 19.4131 ± 0.0004 Å
• c: 8.15547 ± 0.00018 Å
• α: 90°
• β: 105.47 ± 0.0007°
• γ: 90°
• Cell volume: 858.68 ± 0.03 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0289
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No