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Information card for entry 7005182
Preview
| Coordinates | 7005182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H56 K4 Nb6 O33 Ru2 |
|---|---|
| Calculated formula | C20 H28 K4 Nb6 O33 Ru2 |
| SMILES | [Ru]123456789%10([Nb]%11%12%13%14%15%16%17%18([Nb]%19%20%21%22%23%24%25([Ru]%26%27%28%29%30%31%32%33%34([Nb]%35%36%37%38%39%40%19([Nb]%19%41%11%20%26([Nb]%11%201%12%35([Nb]2%13%21%36([O]%14%22%37%19%11)(O%39)(O%23)([O]4%18)([O]5%20)=O)(O%41)(O%38)([O]3%17)=O)(=O)(O%15)([O]%25%28)[O]%29%40)([O]%24%27)=O)[c]1([cH]%34[cH]%33[c]%32([cH]%31[cH]%301)C(C)C)C)(=O)O%16)=O)[c]1([cH]%10[cH]9[c]8([cH]7[cH]61)C(C)C)C.[K+].[K+].[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Synthesis and reactivity of {Ru(p-cymene)}2+ derivatives of [Nb6O19]8-: a rational approach towards fluxional organometallic derivatives of polyoxometalates. |
| Authors of publication | Laurencin, Danielle; Thouvenot, René; Boubekeur, Kamal; Proust, Anna |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 13 |
| Pages of publication | 1334 - 1345 |
| a | 9.452 ± 0.0006 Å |
| b | 14.333 ± 0.0017 Å |
| c | 20.2351 ± 0.0019 Å |
| α | 103.546 ± 0.008° |
| β | 99.832 ± 0.007° |
| γ | 95.962 ± 0.005° |
| Cell volume | 2596.2 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0809 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179755 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/51. |
7005182.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7005182.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005182.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005182.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005182.cif |
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