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Information card for entry 7000202
Preview
| Coordinates | 7000202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H78 N2 P4 Ru2 |
|---|---|
| Calculated formula | C82 H78 N2 P4 Ru2 |
| SMILES | [Ru]12345(C#CC(=C(C#N)C#N)C#CC#C[Ru]6789%10([P](c%11ccccc%11)(c%11ccccc%11)CC[P]6(c6ccccc6)c6ccccc6)[c]6([c]7([c]8([c]9([c]%106C)C)C)C)C)([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
| Title of publication | Tricyanovinylalkynyl‒metal complexes: synthesis and some reactions |
| Authors of publication | Bruce, Michael I.; Burgun, Aléxandre; Kramarczuk, Kathy A.; Nicholson, Brian K.; Parker, Christian R.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 1 |
| Pages of publication | 33 - 36 |
| a | 11.076 ± 0.002 Å |
| b | 17.427 ± 0.002 Å |
| c | 19.294 ± 0.004 Å |
| α | 93.81 ± 0.01° |
| β | 91.45 ± 0.02° |
| γ | 106.45 ± 0.01° |
| Cell volume | 3560 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1354 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.1546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7000202.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000202.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000202.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000202.cif |
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