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Information card for entry 7206160
Preview
| Coordinates | 7206160.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato-O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4) |
|---|---|
| Chemical name | bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato- O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4) |
| Formula | C46 H66 Mo8 N8 O33 |
| Calculated formula | C46 H66 Mo8 N8 O33 |
| SMILES | C1(=N[N]2[Mo](O1)(=O)(=O)([OH2])Oc1c(C=2)ccc(N(CC)CC)c1)c1cc[nH+]cc1.O=C(C)C.O=C(C)C.O1[Mo]234([O]5678[Mo]9%10(O2)(O[Mo]217(O[Mo]15(O[Mo]6(O[Mo]8(O1)(O9)(=O)O3)(O2)(O%10)=O)(=O)O4)=O)=O)=O.C1(=N[N]2=Cc3c(O[Mo]2(O1)(=O)(=O)[OH2])cc(N(CC)CC)cc3)c1cc[nH+]cc1.O=C(C)C.O=C(C)C |
| 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 | 10.257 ± 0.0002 Å |
| b | 10.4104 ± 0.0002 Å |
| c | 15.5335 ± 0.0003 Å |
| α | 91.935 ± 0.001° |
| β | 97.17 ± 0.002° |
| γ | 95.19 ± 0.001° |
| Cell volume | 1637.24 ± 0.06 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 | 0.0209 |
| Residual factor for significantly intense reflections | 0.0197 |
| Weighted residual factors for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.0507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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. |
7206160.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206160.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206160.cif |
| 23531 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206155, 7206156, 7206157, 7206158, 7206159, 7206160 via cif-deposit CGI script. |
7206160.cif |
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