Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7034451
Preview
| Coordinates | 7034451.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 F6 O2 P Ru |
|---|---|
| Calculated formula | C13 H15 F6 O2 P Ru |
| SMILES | [Ru]123456789([cH]%10[cH]3[cH]4[cH]1[cH]2%10)[cH]1[cH]5[cH]6[cH]8[c]7([cH]91)OCOC.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Colorless organometallic ionic liquids from cationic ruthenium sandwich complexes: thermal properties, liquid properties, and crystal structures of [Ru(η(5)-C5H5)(η(6)-C6H5R)][X] (X = N(SO2CF3)2, N(SO2F)2, PF6). |
| Authors of publication | Komurasaki, Aina; Funasako, Yusuke; Mochida, Tomoyuki |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 16 |
| Pages of publication | 7595 - 7605 |
| a | 18.367 ± 0.004 Å |
| b | 8.8317 ± 0.0018 Å |
| c | 25.123 ± 0.004 Å |
| α | 90° |
| β | 133.146 ± 0.01° |
| γ | 90° |
| Cell volume | 2973.4 ± 1.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180050 (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 7/03/44. |
7034451.cif |
| 138622 | 2015-06-07 | cif/ Updating files of 7034449, 7034450, 7034451, 7034452, 7034453, 7034454, 7034455 Original log message: Adding full bibliography for 7034449--7034455.cif. |
7034451.cif |
| 134025 | 2015-03-18 | cif/ Adding structures of 7034449, 7034450, 7034451, 7034452, 7034453, 7034454, 7034455 via cif-deposit CGI script. |
7034451.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.