Information card for entry 7028551

Structure parameters

• Formula: C28 H26 Fe2 O2
• Calculated formula: C28 H26 Fe2 O2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)c1c(cc(OC)c(OC)c1)[c]12[cH]3[Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Construction of di- and tetra-ferrocenyl spiroborate complexes from catechol building blocks and their redox behaviors.
• Authors of publication: Tahara, Keishiro; Akita, Tetsuhiro; Katao, Shohei; Kikuchi, Jun-ichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1368 - 1379
• a: 15.1307 ± 0.0003 Å
• b: 7.41141 ± 0.00013 Å
• c: 20.2153 ± 0.0004 Å
• α: 90°
• β: 100.843 ± 0.0007°
• γ: 90°
• Cell volume: 2226.47 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• 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: 0.0305
• Weighted residual factors for all reflections included in the refinement: 0.0804
• 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