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Information card for entry 4337750
Preview
| Coordinates | 4337750.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tetrabutylammonium trichlorido-D-prolinato-nitrosyl-ruthenate(III) |
|---|---|
| Formula | C21 H44 Cl3 N3 O3 Ru |
| Calculated formula | C21 H44 Cl3 N3 O3 Ru |
| SMILES | [Ru]1(Cl)(Cl)(Cl)(OC(=O)[C@@H]2[NH]1CCC2)N=O.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity. |
| Authors of publication | Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 5 |
| Pages of publication | 2718 - 2729 |
| a | 10.1919 ± 0.0019 Å |
| b | 15.628 ± 0.003 Å |
| c | 17.93 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2855.9 ± 1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0971 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1131 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179480 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/77. |
4337750.cif |
| 107716 | 2014-03-22 | cif/ Adding structures of 4337746, 4337747, 4337748, 4337749, 4337750, 4337751, 4337752, 4337753 via cif-deposit CGI script. |
4337750.cif |
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Users of the data should acknowledge the original authors of the
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