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Information card for entry 7034331
Preview
| Coordinates | 7034331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H40 N2 Ni |
|---|---|
| Calculated formula | C38 H40 N2 Ni |
| SMILES | [Ni]1234(=C5N(CCN5c5c(cc(cc5C)C)C)c5c(cc(cc5C)C)C)([cH]5[cH]4[cH]3[cH]2[cH]15)c1ccccc1c1ccccc1 |
| Title of publication | Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion - synthesis, structures and reactivity. |
| Authors of publication | Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 16 |
| Pages of publication | 7169 - 7176 |
| a | 13.4758 ± 0.0002 Å |
| b | 13.6096 ± 0.0002 Å |
| c | 17.1452 ± 0.0003 Å |
| α | 90° |
| β | 105.054 ± 0.002° |
| γ | 90° |
| Cell volume | 3036.52 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180049 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/43. |
7034331.cif |
| 138642 | 2015-06-07 | cif/ Updating files of 7034327, 7034328, 7034329, 7034330, 7034331, 7034332 Original log message: Adding full bibliography for 7034327--7034332.cif. |
7034331.cif |
| 133750 | 2015-03-10 | cif/ Adding structures of 7034327, 7034328, 7034329, 7034330, 7034331, 7034332 via cif-deposit CGI script. |
7034331.cif |
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Users of the data should acknowledge the original authors of the
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