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Information card for entry 7225237
Preview
| Coordinates | 7225237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H62 Co2 N12 O48 Sb6 V15 |
|---|---|
| Calculated formula | C12 H42 Co2 N12 O48 Sb6 V15 |
| SMILES | C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[N]1[Co]23([NH2]CC1)([NH2]CC[N]2)[NH2]CC[N]3.O=[V]123[O]4[V]56(=O)[O]2[V]27(=O)[O]1[V]18(=O)[O]3[Sb]3O[Sb]4[O]4[V]9%10(=O)[O]5[V]5%11(=O)[O]%12[V]%13(=O)([O]%14[V]%15%16(=O)[O]%17[V]%18(=O)([O]2[V]2(=O)([O]1[V]1%19(=O)[O]%20[V]%21([O]3[V]34([O]9[V]4(=O)([O]9[V]%14(=O)([O]%16[Sb](O[Sb]%209)[O]2%19)[O]%134)[O]%213)=O)(=O)[O]81)[O]%15%18)[O]7[Sb](O[Sb]%12%17)[O]65)[O]%10%11.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 | 12.4543 ± 0.0018 Å |
| b | 12.4543 ± 0.0018 Å |
| c | 39.916 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5361.9 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0608 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1324 |
| Weighted residual factors for all reflections included in the refinement | 0.1415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
7225237.cif |
| 182955 | 2016-05-14 | cif/ Adding structures of 7225235, 7225236, 7225237, 7225238, 7225239 via cif-deposit CGI script. |
7225237.cif |
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Users of the data should acknowledge the original authors of the
structural data.