Information card for entry 7702125

Structure parameters

• Formula: C54 H54 B4 Cl6 Fe2 O8
• Calculated formula: C54 H54 B4 Cl6 Fe2 O8
• Title of publication: Control of the reversibility during boronic ester formation: application to the construction of ferrocene dimers and trimers.
• Authors of publication: Ono, Kosuke; Tohyama, Yohei; Uchikura, Tatsuhiro; Kikuchi, Yuji; Fujii, Kotaro; Uekusa, Hidehiro; Iwasawa, Nobuharu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2370 - 2376
• a: 11.5229 ± 0.0006 Å
• b: 14.4999 ± 0.0008 Å
• c: 18.9095 ± 0.0011 Å
• α: 65.367 ± 0.001°
• β: 70.676 ± 0.002°
• γ: 83.183 ± 0.002°
• Cell volume: 2709.4 ± 0.3 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No