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Information card for entry 8102639
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| Coordinates | 8102639.cif |
|---|---|
| External links | PubChem |
| Common name | Bis[3,3'-(butane-1,4-diyl)bis(2-ethylbenzimidazole)-1-ium] hexamolybdate(VI) |
|---|---|
| Chemical name | Bis[3,3'-(butane-1,4-diyl)bis(2-ethylbenzimidazole)-1-ium] hexamolybdate(VI) |
| Formula | C22 H28 Mo6 N4 O19 |
| Calculated formula | C22 H28 Mo6 N4 O19 |
| Title of publication | Crystal structure of 3,3'-(butane-1,4-diyl)bis(2-ethylbenzimidazole)-1-ium-(m6-oxo)-dodecakis(m2-oxo)-hexaoxohexamolybdenum(VI), [C22H28N4][Mo6O19] |
| Authors of publication | Li-Hui Zhang; Jin Yang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 1 |
| Pages of publication | 201 |
| a | 7.8136 ± 0.0008 Å |
| b | 10.412 ± 0.0009 Å |
| c | 10.8054 ± 0.0009 Å |
| α | 100.267 ± 0.007° |
| β | 96.232 ± 0.007° |
| γ | 107.605 ± 0.008° |
| Cell volume | 812.02 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.04 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0451 |
| Weighted residual factors for all reflections included in the refinement | 0.0467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.836 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102639.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102639.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102639.cif |
| 13378 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102639 via cif-deposit CGI script. |
8102639.cif |
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Users of the data should acknowledge the original authors of the
structural data.