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Information card for entry 4342359
Preview
| Coordinates | 4342359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H21 F9 N5 O10 Ru S3 |
|---|---|
| Calculated formula | C9 H23 F9 N5 O11 Ru S3 |
| SMILES | [Ru]([OH2])([n]1ccc(C)cc1)([NH3])([NH3])([NH3])[NH3].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O |
| Title of publication | Secondary Coordination Sphere Effects in Ruthenium(III) Tetraammine Complexes: Role of the Coordinated Water Molecule. |
| Authors of publication | Souza, Maykon L.; Castellano, Eduardo E.; Telser, Joshua; Franco, Douglas W. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 2067 - 2080 |
| a | 13.8184 ± 0.0005 Å |
| b | 14.769 ± 0.0006 Å |
| c | 14.6665 ± 0.0005 Å |
| α | 90° |
| β | 111.515 ± 0.002° |
| γ | 90° |
| Cell volume | 2784.64 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0888 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.195 |
| Weighted residual factors for all reflections included in the refinement | 0.2115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4342359.cif |
| 171658 | 2015-12-21 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with empty values from multiple entries in ranges 1, 4, 7. |
4342359.cif |
| 132799 | 2015-03-04 | cif/ Updating files of 4342358, 4342359, 4342360 Original log message: Adding full bibliography for 4342358--4342360.cif. |
4342359.cif |
| 131284 | 2015-02-07 | cif/ Adding structures of 4342359 via cif-deposit CGI script. |
4342359.cif |
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Users of the data should acknowledge the original authors of the
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