Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7206118
Preview
| Coordinates | 7206118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H21 Cl2 N O3 Ru |
|---|---|
| Calculated formula | C16 H21 Cl2 N O3 Ru |
| SMILES | [Ru]12345(Cl)(Cl)([n]6ccc(cc6)C(=O)O)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C.O |
| Title of publication | Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks |
| Authors of publication | Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 4365 |
| a | 15.725 ± 0.001 Å |
| b | 15.839 ± 0.002 Å |
| c | 7.4203 ± 0.0007 Å |
| α | 90° |
| β | 84.225 ± 0.002° |
| γ | 90° |
| Cell volume | 1838.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180392 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61. |
7206118.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206118.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206118.cif |
| 23523 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206118, 7206119, 7206120 via cif-deposit CGI script. |
7206118.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.