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Information card for entry 4342637
Preview
| Coordinates | 4342637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62.5 H137.5 Al Mo6 N5.5 O25.5 |
|---|---|
| Calculated formula | C62.5 H137.5 Al Mo6 N5.5 O25.5 |
| SMILES | [Mo]123([O]45[Mo]6([O]78[Mo]9([O]%10%11[Mo]%12([O]%13%14[Mo]%15([O]%16([Mo](O%15)([O]1([Al]47%10%13%16)CC(C%14)(CC)C8)(O2)(=O)=O)CC(C5)(C%11)N)(O%12)(=O)=O)(=O)(O9)=O)(O6)(=O)=O)(O3)(=O)=O)(=O)=O.C(C[N+](CCCC)(CCCC)CCCC)CC.C([N+](CCCC)(CCCC)CCCC)CCC.[N+](CCCC)(CCCC)(CCCC)CCCC.O=CN(C)C.O=CN(C)C |
| Title of publication | Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids. |
| Authors of publication | Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 2551 - 2559 |
| a | 13.6974 ± 0.0002 Å |
| b | 49.357 ± 0.0007 Å |
| c | 25.1423 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16997.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190287 (current) | 2017-01-09 | cif/4: Fixing Z values and formulae |
4342637.cif |
| 179529 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/26. |
4342637.cif |
| 134780 | 2015-04-04 | cif/ Updating files of 4342631, 4342632, 4342633, 4342634, 4342635, 4342636, 4342637 Original log message: Adding full bibliography for 4342631--4342637.cif. |
4342637.cif |
| 133140 | 2015-03-06 | cif/ Adding structures of 4342631, 4342632, 4342633, 4342634, 4342635, 4342636, 4342637 via cif-deposit CGI script. |
4342637.cif |
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Users of the data should acknowledge the original authors of the
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