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Information card for entry 7039660
Preview
| Coordinates | 7039660.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H50 Cu2 Mo N16 O9 |
|---|---|
| Calculated formula | C38 H50 Cu2 Mo N16 O9 |
| SMILES | [Mo](C#N)(C#N)(C#[N][Cu]123[n]4ccccc4C=[N]1CCC[N]2=Cc1cccc[n]31)(C#N)(C#[N][Cu]123[n]4ccccc4C=[N]1CCC[N]2=Cc1cccc[n]31)(C#N)(C#N)C#N.O.O.O.O.O.O.O.O.O |
| Title of publication | Photoswitchable CuMo(IV) and CuMo(IV) cyanido-bridged molecules. |
| Authors of publication | Korzeniak, Tomasz; Pinkowicz, Dawid; Nitek, Wojciech; Dańko, Tomasz; Pełka, Robert; Sieklucka, Barbara |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 42 |
| Pages of publication | 16585 - 16595 |
| a | 18.4995 ± 0.0003 Å |
| b | 13.4598 ± 0.0001 Å |
| c | 20.4476 ± 0.0003 Å |
| α | 90° |
| β | 113.588 ± 0.002° |
| γ | 90° |
| Cell volume | 4666.04 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0766 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288182 (current) | 2023-12-08 | cif/ Corrected the misspelt variants of the '_computing_publication_material' data name in entries 7017135, 7039660, 7042474, 7042475, 7051317, 8102679, 8102712. |
7039660.cif |
| 188224 | 2016-11-08 | cif/ Updating files of 7039660, 7039661 Original log message: Adding full bibliography for 7039660--7039661.cif. |
7039660.cif |
| 183921 | 2016-06-25 | cif/ Adding structures of 7039660, 7039661 via cif-deposit CGI script. |
7039660.cif |
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