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Information card for entry 7052735
Preview
| Coordinates | 7052735.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Sad174 |
|---|---|
| Formula | C41 H51 B N3 O6 Re |
| Calculated formula | C41 H51 B N3 O6 Re |
| SMILES | [Re]12(C#[O])(C#[O])(C#[O])[N]3[C@@H](C(C)C)COC=3[B](C3=[N]1[C@@H](C(C)C)CO3)(C1=[N]2[C@@H](C(C)C)CO1)c1ccccc1.Cc1ccccc1.Cc1ccccc1 |
| Title of publication | Anodic electrochemistry of Mn and Re tricarbonyl complexes of tris(oxazolinyl)phenyl borate ligands: comparison to tris(pyrazolyl) borate complexes |
| Authors of publication | Wu, Kan; Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.; Geiger, William E. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 10 |
| Pages of publication | 2169 |
| a | 10.228 ± 0.0017 Å |
| b | 10.8316 ± 0.0018 Å |
| c | 18.363 ± 0.003 Å |
| α | 90° |
| β | 100.083 ± 0.002° |
| γ | 90° |
| Cell volume | 2002.9 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.026 |
| Residual factor for significantly intense reflections | 0.0219 |
| Weighted residual factors for significantly intense reflections | 0.0504 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180081 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27. |
7052735.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052735.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052735.cif |
| 28142 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7052732, 7052733, 7052734, 7052735 via cif-deposit CGI script. |
7052735.cif |
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Users of the data should acknowledge the original authors of the
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