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Information card for entry 7011633
Preview
| Coordinates | 7011633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H64 Cl4 N2 O24 P4 Ru10 |
|---|---|
| Calculated formula | C100 H64 Cl4 N2 O24 P4 Ru10 |
| SMILES | [Ru]12345([Ru]6789([Ru]%10%11%12%13%14%15%16([Ru]%17%18%19%20([Ru]%21%22%23%24([Ru]%25%26%27%28%291%10([Ru]26%11(C8=O)(C#[O])(C#[O])[C]59%15%28[Ru]37%12%25([Ru]%14%18%22%27(C%19=O)(C#[O])(C#[O])[C]%16%20%24%29[Ru]%13%17%21%26(C%23=O)(C#[O])C#[O])(C4=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].P(c1ccccc1)(c1ccccc1)(c1ccccc1)=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1.P(c1ccccc1)(c1ccccc1)(c1ccccc1)=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl |
| Title of publication | Synthesis of carbido and related derivatives from calcium carbide and ruthenium carbonyl clusters |
| Authors of publication | Bruce, Michael I.; Zaitseva, Natasha N.; Skelton, Brian W.; White, Allan H. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 20 |
| Pages of publication | 3879 |
| a | 12.313 ± 0.001 Å |
| b | 18.211 ± 0.002 Å |
| c | 23.54 ± 0.002 Å |
| α | 101.622 ± 0.002° |
| β | 94.226 ± 0.002° |
| γ | 94.918 ± 0.002° |
| Cell volume | 5128.7 ± 0.8 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.088 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for all reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections | 1.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.217 |
| 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. |
7011633.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011633.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011633.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011633.cif |
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Users of the data should acknowledge the original authors of the
structural data.