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Information card for entry 1545602
Preview
| Coordinates | 1545602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H44 Cl6 Co N10 O4 Re |
|---|---|
| Calculated formula | C38 H44 Cl6 Co N10 O4 Re |
| SMILES | [Re](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].[Co]1234(ON5C(OCC5(C)C)(c5[n]1cccc5)c1[n]4cccc1)ON1C(OCC1(C)C)(c1[n]2cccc1)c1[n]3cccc1.N#CC.N#CC.N#CC.N#CC |
| Title of publication | Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. |
| Authors of publication | Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 16 |
| Pages of publication | 5250 - 5259 |
| a | 13.5101 ± 0.0006 Å |
| b | 11.2475 ± 0.0004 Å |
| c | 15.7037 ± 0.0007 Å |
| α | 90° |
| β | 110.536 ± 0.005° |
| γ | 90° |
| Cell volume | 2234.61 ± 0.18 Å3 |
| Cell temperature | 199.94 ± 0.13 K |
| Ambient diffraction temperature | 199.94 ± 0.13 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0985 |
| Residual factor for significantly intense reflections | 0.0712 |
| Weighted residual factors for significantly intense reflections | 0.1217 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.278 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196416 (current) | 2017-05-06 | cif/ Updating files of 1545597, 1545598, 1545599, 1545600, 1545601, 1545602, 1545603, 1545604, 1545605, 1545606, 1545607 Original log message: Adding full bibliography for 1545597--1545607.cif. |
1545602.cif |
| 194372 | 2017-03-21 | cif/ Adding structures of 1545597, 1545598, 1545599, 1545600, 1545601, 1545602, 1545603, 1545604, 1545605, 1545606, 1545607 via cif-deposit CGI script. |
1545602.cif |
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Users of the data should acknowledge the original authors of the
structural data.