Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7009444
Preview
| Coordinates | 7009444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H18 Cl3 N5 O2 Ru |
|---|---|
| Calculated formula | C4 H18 Cl3 N5 O2 Ru |
| SMILES | [Ru]12(N=O)([OH2])([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cl-].[Cl-].[Cl-] |
| Title of publication | X-Ray diffraction and spectroscopic studies of the light-induced metastable state of a ethylenediamine nitrosyl ruthenium complex |
| Authors of publication | Kawano, Masaki; Ishikawa, Ayako; Morioka, Yoshiyuki; Tomizawa, Hiroshi; Miki, Ei-ichi; Ohashi, Yuji |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 14 |
| Pages of publication | 2425 |
| a | 15.4564 ± 0.0003 Å |
| b | 8.4266 ± 0.0002 Å |
| c | 10.056 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1309.74 ± 0.05 Å3 |
| Cell temperature | 106 ± 2 K |
| Ambient diffraction temperature | 106 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0184 |
| Residual factor for significantly intense reflections | 0.0152 |
| Weighted residual factors for significantly intense reflections | 0.0316 |
| Weighted residual factors for all reflections included in the refinement | 0.0322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179798 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/94. |
7009444.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009444.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009444.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7009444.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009444.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.