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Information card for entry 7013205
Preview
| Coordinates | 7013205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H39 N3 O15 P2 Ru6 |
|---|---|
| Calculated formula | C57 H39 N3 O15 P2 Ru6 |
| SMILES | c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]34567(C#[O])(C#[O])N891[Ru]1%10%1123(C#[O])(C#[O])[Ru]239(C(=O)[Ru]482(C#[O])(C#[O])([Ru]513(C#[O])(C#[O])(C#[O])[H]6%11)[H]7)(C#[O])(C#[O])[H]%10.c1(ccccc1)P(c1ccccc1)(c1ccccc1)=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Hexaruthenium cluster complexes of basal edge-bridged square pyramidal metallic skeleton. First efficient synthesis and reactivity studies |
| Authors of publication | Javier A. Cabeza; Ignacio del Río; Pablo García-Álvarez; Víctor Riera; Marta Suárez; Santiago García-Granda |
| Journal of publication | Dalton Trans. |
| Year of publication | 2003 |
| Journal issue | 14 |
| Pages of publication | 2808 - 2809 |
| a | 11.7624 ± 0.0004 Å |
| b | 15.2986 ± 0.0006 Å |
| c | 17.4724 ± 0.0007 Å |
| α | 108.457 ± 0.002° |
| β | 94.069 ± 0.003° |
| γ | 96.956 ± 0.002° |
| Cell volume | 2940.4 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0611 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1369 |
| Weighted residual factors for all reflections included in the refinement | 0.1427 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7013205.cif |
| 179836 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/32. |
7013205.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013205.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013205.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013205.cif |
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