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Information card for entry 7225236
Preview
| Coordinates | 7225236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H62 N12 Ni2 O48 Sb6 V15 |
|---|---|
| Calculated formula | C12 H42 N12 Ni2 O48 Sb6 V15 |
| SMILES | C1C[NH2][Ni]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[O]=[V]123[O]4[V]56(=O)[O]1[V]17(=O)[O]2[V]28(=O)[O]9[V]%10%11(=O)[O]%12[V]%139(=O)[O]2[V]29(=O)[O]%14[V]%15%16(=O)[O]%17[V]%14(=O)([O]12)[O]7[Sb]1O[Sb]%17[O]2[V]7(=O)([O]5[V]5%14(=O)[O]%17[Sb]4O[Sb]([O]%11[V]4%17(=O)[O]%10[V]%10(=O)([O]%11[V]%17(=O)([O]%15[V]2(=O)([O]7%14)[O]%10%17)[O]%16[Sb](O[Sb]%12%11)[O]%139)[O]54)[O]38)[O]61.[Ni]123([NH2]CC[N]3)([NH2]CC[N]1)[NH2]CC[N]2.O.O.O.O.O.O |
| Title of publication | Vanadoantimonates: from discrete clusters to high dimensional aggregates |
| Authors of publication | Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 27 |
| Pages of publication | 5130 |
| a | 12.4887 ± 0.0007 Å |
| b | 12.4887 ± 0.0007 Å |
| c | 39.986 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5401 ± 0.8 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0995 |
| Residual factor for significantly intense reflections | 0.089 |
| Weighted residual factors for significantly intense reflections | 0.2245 |
| Weighted residual factors for all reflections included in the refinement | 0.2432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185228 (current) | 2016-08-07 | cif/ Updating files of 7225235, 7225236, 7225237, 7225238, 7225239 Original log message: Adding full bibliography for 7225235--7225239.cif. |
7225236.cif |
| 182955 | 2016-05-14 | cif/ Adding structures of 7225235, 7225236, 7225237, 7225238, 7225239 via cif-deposit CGI script. |
7225236.cif |
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Users of the data should acknowledge the original authors of the
structural data.