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Information card for entry 7230004
Preview
| Coordinates | 7230004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H18 Fe N2 |
|---|---|
| Calculated formula | C25 H17 Fe N2 |
| SMILES | [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]5([cH]6[cH]7[cH]81)c1[nH]c2c3ccccc3c3ccccc3c2n1 |
| Title of publication | The first colorimetric receptor for the B4O72− anion based on nitro substituted phenanthroimidazole ferrocene derivatives |
| Authors of publication | Wu, Pei; Wang, Guo; Zhou, Lu; Lu, Jing; Wang, Jianchun |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 3782 |
| a | 9.746 ± 0.002 Å |
| b | 19.123 ± 0.004 Å |
| c | 19.154 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3569.8 ± 1.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0724 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205428 (current) | 2018-01-20 | cif/ Adding structures of 7230004 via cif-deposit CGI script. |
7230004.cif |
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Users of the data should acknowledge the original authors of the
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