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Information card for entry 7016813
Preview
| Coordinates | 7016813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Nonacarbonyl-(ethoxy-(2,2'-bis(thien-4-yl)-4'-aldehyde)-methylidene)-dirhenium |
|---|---|
| Formula | C21 H10 O11 Re2 S2 |
| Calculated formula | C21 H10 O11 Re2 S2 |
| SMILES | [Re]([Re](C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1ccc(s1)c1ccc(s1)C=O)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Rhenium ethoxy- and hydroxycarbene complexes with thiophene substituents. |
| Authors of publication | Lotz, Simon; Landman, Marilé; Olivier, Andrew J.; Bezuidenhout, Daniela I.; Liles, David C.; Palmer, Eric R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 37 |
| Pages of publication | 9394 - 9403 |
| a | 9.5208 ± 0.0008 Å |
| b | 13.1481 ± 0.0011 Å |
| c | 20.6062 ± 0.0017 Å |
| α | 90° |
| β | 101.041 ± 0.001° |
| γ | 90° |
| Cell volume | 2531.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0266 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0623 |
| Weighted residual factors for all reflections included in the refinement | 0.0637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179872 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/68. |
7016813.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016813.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016813.cif |
| 28081 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016810, 7016811, 7016812, 7016813 via cif-deposit CGI script. |
7016813.cif |
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