Information card for entry 7030840

Structure parameters

• Formula: C22.66667 H25.33333 B2 Fe2 O4.66667
• Calculated formula: C22.6667 H25.3333 B2 Fe2 O4.66667
• SMILES: B([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[c]6([cH]12)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[c]6(B(O)O)[cH]12)(O)O.O1CCCC1
• 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: 29.2155 ± 0.0006 Å
• b: 8.77877 ± 0.00016 Å
• c: 27.5805 ± 0.0005 Å
• α: 90°
• β: 114.589 ± 0.0007°
• γ: 90°
• Cell volume: 6432.3 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No