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Information card for entry 7217758
Preview
| Coordinates | 7217758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | pyridoxal-isonicotinoyl-hydrazone (μU~eq~6-oxo) -dodecakis(μU~eq~2-oxo)-hexa(oxomolybdenum) acetone solvate (1/3) |
|---|---|
| Formula | C23 H34 Mo6 N4 O25 |
| Calculated formula | C23 H34 Mo6 N4 O25 |
| Title of publication | Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions |
| Authors of publication | Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| a | 10.5047 ± 0.0002 Å |
| b | 18.6297 ± 0.0003 Å |
| c | 10.7312 ± 0.0002 Å |
| α | 90° |
| β | 109.882 ± 0.002° |
| γ | 90° |
| Cell volume | 1974.91 ± 0.07 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0262 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.0586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7217758.cif |
| 180508 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/77. |
7217758.cif |
| 121959 | 2014-08-15 | cif/ Adding structures of 7217757, 7217758, 7217759, 7217760, 7217761, 7217762 via cif-deposit CGI script. |
7217758.cif |
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Users of the data should acknowledge the original authors of the
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