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Information card for entry 7207745
Preview
| Coordinates | 7207745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H29 N6 O44 P W12 |
|---|---|
| Calculated formula | C21 H29 N6 O44 P W12 |
| SMILES | [W]1234([O]56[W]78(O1)(O[W]19%10([O]%11%12[W]%13%14(O1)(O[W]1%15%16([O]%17%18[W](O1)(O2)(O[W]1%17(O%15)(O[W]%11(O9)(O%13)(O[W]5(O3)(O7)(O1)=O)=O)=O)(O[W]12([O]3([W](O8)(O%10)(O1)(O[W]3(O%14)(O%16)(O2)=O)=O)=P6%12%18)(O4)=O)=O)=O)=O)=O)=O)=O.[nH]1c[nH+]c2c1cccc2.[nH]1c[nH+]c2c1cccc2.[nH]1c[nH+]c2c1cccc2.O.O.O.O |
| Title of publication | pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions |
| Authors of publication | Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 3183 |
| a | 14.232 ± 0.0015 Å |
| b | 14.6531 ± 0.0016 Å |
| c | 15.1359 ± 0.0018 Å |
| α | 77.195 ± 0.002° |
| β | 67.084 ± 0.001° |
| γ | 65.102 ± 0.001° |
| Cell volume | 2630.9 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0738 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1591 |
| Weighted residual factors for all reflections included in the refinement | 0.1721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180408 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/77. |
7207745.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207745.cif |
| 55913 | 2012-05-08 | cif/ Adding structures of 7207745, 7207746, 7207747, 7207748 via cif-deposit CGI script. |
7207745.cif |
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Users of the data should acknowledge the original authors of the
structural data.