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Information card for entry 1551570
Preview
| Coordinates | 1551570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H28 Cu F18 Mo3 N4 O15 |
|---|---|
| Calculated formula | C38 H28 Cu F18 Mo3 N4 O15 |
| Title of publication | Crystal Structure of a Supramolecular Complex Built up from Molybdenum(II) Trifluoroacetate and Copper(II) Schiff-Base Components, [{CuL<sup>t-Bu</sup>}<sub>2</sub>{Mo<sub>2</sub>(O<sub>2</sub>CCF<sub>3</sub>)<sub>4</sub>}<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub>n</sub>, H<sub>2</sub>L<sup>t-Bu</sup> = 2,3-bis((5-<i>tert</i>-butyl-2-hydroxybenzylidene)amino)-2,3-butenedinitrile |
| Authors of publication | HANDA, Makoto; KAMADA, Hiroshi; YOSHIOKA, Daisuke; HIROMITSU, Ichiro; KASUGA, Kuninobu; MIKURIYA, Masahiro |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2018 |
| Journal volume | 34 |
| Journal issue | 0 |
| Pages of publication | 59 |
| a | 12.1206 ± 0.0012 Å |
| b | 14.9911 ± 0.0014 Å |
| c | 16.8782 ± 0.0016 Å |
| α | 106.871 ± 0.001° |
| β | 98.131 ± 0.002° |
| γ | 109.68 ± 0.001° |
| Cell volume | 2664.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1105 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1026 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551570.cif |
| 216180 | 2019-06-20 | cif/ Adding structures of 1551570 via cif-deposit CGI script. |
1551570.cif |
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