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Information card for entry 7700028
Preview
| Coordinates | 7700028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H72 B4 Fe4 O8 |
|---|---|
| Calculated formula | C72 H72 B4 Fe4 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 |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 7 |
| Pages of publication | 2370 - 2376 |
| a | 13.2454 ± 0.0005 Å |
| b | 20.543 ± 0.0008 Å |
| c | 22.8531 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6218.3 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.212 |
| Residual factor for significantly intense reflections | 0.1325 |
| Weighted residual factors for significantly intense reflections | 0.305 |
| Weighted residual factors for all reflections included in the refinement | 0.4094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.