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Information card for entry 2021293
Preview
| Coordinates | 2021293.cif |
|---|---|
| Structure factors | 2021293.hkl |
| Original IUCr paper | HTML |
| Common name | Poly[diaquabis(2,2'-biimidazole)hexa-μ~3~-oxo-octa-μ~2~-oxo-hexaoxodicopper(II)hexamolybdate(VI)] |
|---|---|
| Formula | C12 H16 Cu2 Mo6 N8 O22 |
| Calculated formula | C12 H16 Cu2 Mo6 N8 O22 |
| SMILES | [Mo]12345O[Mo]678([O]9[Mo]%10(O[Mo]%11%12%13(O[Mo]%14([O]%11[Mo](O[Mo]%11%15([O]%12[Mo]9(O%11)([O]%10%15)(=O)=O)(=[O][Cu]9([n]%10c([nH]cc%10)c%10[n]9cc[nH]%10)[OH2])[O]%13%14)(=O)(=O)=O)(=O)=O)=[O][Cu]9([O]=6)([n]6c([nH]cc6)c6[n]9cc[nH]6)[OH2])([O]8[Mo]68([O]4[Mo]4(O[Mo]([O]2[Mo](O1)(=O)(=O)[O]54)(=O)(=O)=O)(O6)([O]78)=[O][Cu]1([n]2c([nH]cc2)c2[n]1cc[nH]2)[OH2])(=O)=O)(=[O][Cu]1([O]=3)([n]2c([nH]cc2)c2[n]1cc[nH]2)[OH2])=O)=O |
| Title of publication | A new hexamolybdate-based copper‒2,2'-biimidazole coordination polymer serving as an acid catalyst and support for enzyme immobilization |
| Authors of publication | Sang, Xiao-Jing; Feng, Shu-Li; Lu, Ying; Zhang, Yue-Xian; Su, Fang; Zhang, Lan-Cui; Zhu, Zai-Ming |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| a | 8.065 ± 0.003 Å |
| b | 10.293 ± 0.004 Å |
| c | 10.837 ± 0.004 Å |
| α | 64.09 ± 0.005° |
| β | 75.186 ± 0.005° |
| γ | 71.141 ± 0.005° |
| Cell volume | 758.8 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0215 |
| Residual factor for significantly intense reflections | 0.018 |
| Weighted residual factors for significantly intense reflections | 0.0409 |
| Weighted residual factors for all reflections included in the refinement | 0.0424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211616 (current) | 2018-10-25 | cif/ hkl/ Adding structures of 2021293 via cif-deposit CGI script. |
2021293.cif 2021293.hkl |
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