Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7034329
Preview
| Coordinates | 7034329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PW34 |
|---|---|
| Formula | C42 H46 N2 Ni O |
| Calculated formula | C42 H46 N2 Ni O |
| SMILES | c1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c12ccccc1c1ccccc1[Ni]13452[cH]2[cH]1[cH]3[cH]4[cH]52.C1CCCO1 |
| 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 | 13.0464 ± 0.0006 Å |
| b | 17.1568 ± 0.0008 Å |
| c | 15.5211 ± 0.0006 Å |
| α | 90° |
| β | 101.257 ± 0.002° |
| γ | 90° |
| Cell volume | 3407.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.122 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.124 |
| Weighted residual factors for all reflections included in the refinement | 0.14 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| 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. |
7034329.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. |
7034329.cif |
| 133750 | 2015-03-10 | cif/ Adding structures of 7034327, 7034328, 7034329, 7034330, 7034331, 7034332 via cif-deposit CGI script. |
7034329.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.