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Information card for entry 4328586
Preview
| Coordinates | 4328586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H106 N8 O Ru2 Si2 |
|---|---|
| Calculated formula | C74 H106 N8 O Ru2 Si2 |
| SMILES | [Ru]1234([Ru]([N](=C(N1C)c1ccccc1)C)(N(C(=[N]2C)c1ccccc1)C)([N](=C(N3C)c1ccccc1)C)(N(C(=[N]4C)c1ccccc1)C)C#CC(=C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC(=C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C.O1CCCC1 |
| Title of publication | Diruthenium(III,III) Bis(alkynyl) Compounds with Donor/Acceptor-Substituted geminal-Diethynylethene Ligands |
| Authors of publication | William P. Forrest; Zhi Cao; Kerry M. Hassell; Boone M. Prentice; Phillip E. Fanwick; Tong Ren |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 3261 - 3269 |
| a | 10.6263 ± 0.0015 Å |
| b | 16.654 ± 0.003 Å |
| c | 21.36 ± 0.003 Å |
| α | 80.515 ± 0.008° |
| β | 79.918 ± 0.01° |
| γ | 87.793 ± 0.012° |
| Cell volume | 3670.7 ± 1 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.099 |
| Residual factor for significantly intense reflections | 0.078 |
| Weighted residual factors for significantly intense reflections | 0.218 |
| Weighted residual factors for all reflections included in the refinement | 0.234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CU-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
4328586.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4328586.cif |
| 77564 | 2013-03-28 | cif/ Adding structures of 4328586 via cif-deposit CGI script. |
4328586.cif |
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