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Information card for entry 1551661
Preview
| Coordinates | 1551661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H32 Mo2 N2 O8 |
|---|---|
| Calculated formula | C40 H32 Mo2 N2 O8 |
| Title of publication | Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Benzoate and 1,2-Bis(4-pyridyl)ethane with an N2-Adsorption Property |
| Authors of publication | MIKURIYA, Masahiro; KAIHARA, Noriaki; ONO, Takashi; TANAKA, Yusuke; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2014 |
| Journal volume | 30 |
| Journal issue | 0 |
| Pages of publication | 39 |
| a | 8.2457 ± 0.0017 Å |
| b | 10.506 ± 0.002 Å |
| c | 12.142 ± 0.003 Å |
| α | 114.583 ± 0.004° |
| β | 90.398 ± 0.004° |
| γ | 108.768 ± 0.004° |
| Cell volume | 893.5 ± 0.3 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 | 0.0474 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.896 |
| 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. |
1551661.cif |
| 216272 | 2019-06-20 | cif/ Adding structures of 1551661 via cif-deposit CGI script. |
1551661.cif |
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Users of the data should acknowledge the original authors of the
structural data.