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Information card for entry 7206157
Preview
| Coordinates | 7206157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4) |
|---|---|
| Chemical name | bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato- O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4) |
| Formula | C40 H42 Mo8 N12 O29 |
| Calculated formula | C40 H42 Mo8 N12 O29 |
| SMILES | C1(=N[N]2=Cc3c(O[Mo]2([N]#CC)(O1)(=O)=O)cc(OC)cc3)c1cc[nH+]cc1.N#CC.CC#N.[Mo]1234(O[Mo]567([O]89%102[Mo]2(O[Mo]%11%10(O3)(=O)O[Mo]8(O1)(O6)(O[Mo]9(O5)(O%11)(=O)O2)=O)(O4)(=O)O7)=O)=O.C1(=N[N]2=Cc3c(O[Mo]2([N]#CC)(O1)(=O)=O)cc(OC)cc3)c1cc[nH+]cc1.N#CC.N#CC |
| Title of publication | Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes |
| Authors of publication | Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 4382 |
| a | 11.0325 ± 0.0003 Å |
| b | 11.0829 ± 0.0004 Å |
| c | 14.1157 ± 0.0005 Å |
| α | 100.866 ± 0.003° |
| β | 105.795 ± 0.003° |
| γ | 112.231 ± 0.003° |
| Cell volume | 1452.68 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0201 |
| Residual factor for significantly intense reflections | 0.0148 |
| Weighted residual factors for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.0377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180392 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61. |
7206157.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206157.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206157.cif |
| 23531 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206155, 7206156, 7206157, 7206158, 7206159, 7206160 via cif-deposit CGI script. |
7206157.cif |
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