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Information card for entry 7033645
Preview
| Coordinates | 7033645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H38 Cl10 N4 O6 Re2 |
|---|---|
| Calculated formula | C38 H38 Cl10 N4 O6 Re2 |
| SMILES | [Re]1(Cl)([n]2c(c3[n]1cc1[n]([Re](Cl)([n]4c1cc1c(c4)[C@@H]4C[C@H](C1)C4(C)C)(C#[O])(C#[O])C#[O])c3)cc1c(c2)[C@@H]2C[C@H](C1)C2(C)C)(C#[O])(C#[O])C#[O].ClCCl.ClCCl.ClCCl.ClCCl |
| Title of publication | A pair of dinuclear Re(i) enantiomers: synthesis, crystal structures, chiroptical and ferroelectric properties. |
| Authors of publication | Li, Xi-Li; Zhang, Zhiqiang; Zhang, Xue-Li; Kang, Jia-Long; Wang, Ai-Ling; Zhou, Liming; Fang, Shaoming |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 9 |
| Pages of publication | 4180 - 4185 |
| a | 11.6966 ± 0.0007 Å |
| b | 10.4541 ± 0.0004 Å |
| c | 19.4795 ± 0.0015 Å |
| α | 90° |
| β | 93.697 ± 0.006° |
| γ | 90° |
| Cell volume | 2376.9 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0907 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.1754 |
| Weighted residual factors for all reflections included in the refinement | 0.1888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180042 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/36. |
7033645.cif |
| 133423 | 2015-03-06 | cif/ Updating files of 7033645, 7033646 Original log message: Adding full bibliography for 7033645--7033646.cif. |
7033645.cif |
| 129682 | 2015-01-16 | cif/ Adding structures of 7033645, 7033646 via cif-deposit CGI script. |
7033645.cif |
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