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Information card for entry 7036967
Preview
| Coordinates | 7036967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H24 B2 Fe N6 |
|---|---|
| Calculated formula | C16 H24 B2 Fe N6 |
| SMILES | [BH3]C#[N][Fe]123([NH](Cc4cccc[n]14)CC[NH]3Cc1cccc[n]21)[N]#C[BH3] |
| Title of publication | In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands. |
| Authors of publication | Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 47 |
| Pages of publication | 20551 - 20561 |
| a | 14.3553 ± 0.0008 Å |
| b | 15.2389 ± 0.0011 Å |
| c | 8.8543 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1937 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections included in the refinement | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206166 (current) | 2018-02-04 | cif/ Updating space group information in entries 4513766, 7036967, 7036968, 7036970, 7038038, 7100572, 7118054, 7223536. |
7036967.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036967.cif |
| 171241 | 2015-12-09 | cif/ Updating files of 7036967, 7036968, 7036969, 7036970 Original log message: Adding full bibliography for 7036967--7036970.cif. |
7036967.cif |
| 169877 | 2015-10-30 | cif/ Adding structures of 7036967, 7036968, 7036969, 7036970 via cif-deposit CGI script. |
7036967.cif |
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