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Information card for entry 4307806
Preview
| Coordinates | 4307806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C42 H34 Br N2 O2 Re |
|---|---|
| Calculated formula | C42 H34 Br N2 O5 Re |
| SMILES | [Re]12(Br)(=O)(OC(=O)C(O1)(c1ccccc1)c1ccccc1)[n]1c3c(c(cc1)c1ccccc1)ccc1c(cc[n]2c31)c1ccccc1.O1CCCC1 |
| Title of publication | A Series of [3 + 2] Cycloaddition Products from the Reaction of Rhenium Oxo Complexes with Diphenyl Ketene |
| Authors of publication | Michael Middleditch; James C. Anderson; Alexander J. Blake; Clare Wilson |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 2797 - 2804 |
| a | 13.1274 ± 0.0008 Å |
| b | 19.7989 ± 0.0012 Å |
| c | 13.8541 ± 0.0008 Å |
| α | 90° |
| β | 99.55 ± 0.002° |
| γ | 90° |
| Cell volume | 3550.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0316 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4307806.cif |
| 179116 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/78. |
4307806.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307806.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307806.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307806.cif |
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Users of the data should acknowledge the original authors of the
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