Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2232064
Preview
| Coordinates | 2232064.cif |
|---|---|
| Structure factors | 2232064.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tri-μ-chloridobis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrachloridoferrate(III) |
|---|---|
| Formula | C24 H36 Cl7 Fe Ru2 |
| Calculated formula | C24 H36 Cl7 Fe Ru2 |
| SMILES | [Ru]1234567([Cl][Ru]89%10%11%12([Cl]1)([Cl]2)[c]1([c]%12([c]%11([c]%10([c]9([c]81C)C)C)C)C)C)[c]1([c]7([c]6([c]5([c]4([c]31C)C)C)C)C)C.[Fe](Cl)(Cl)(Cl)[Cl-] |
| Title of publication | Tri-μ-chlorido-bis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrachloridoferrate(III) |
| Authors of publication | Štěpnička, Petr; Schulz, Jiří; Císařová, Ivana |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1363 - m1364 |
| a | 8.449 ± 0.0002 Å |
| b | 12.8352 ± 0.0002 Å |
| c | 14.6752 ± 0.0004 Å |
| α | 106.577 ± 0.0012° |
| β | 90.4341 ± 0.0009° |
| γ | 99.7915 ± 0.0012° |
| Cell volume | 1500.43 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.0607 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/20. |
2232064.cif 2232064.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232064.cif 2232064.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232064.cif 2232064.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232064.cif 2232064.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232064.cif 2232064.hkl |
| 29357 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232064 via cif-deposit CGI script. |
2232064.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.