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Information card for entry 7210196
Preview
| Coordinates | 7210196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H62 B18 N6 Na6 O73 V12 |
|---|---|
| Calculated formula | C8 H40 B18 N6 Na6 O73 V12 |
| SMILES | [B]123[O]4[V]56([O]7[B]89OB(O)O[B]7(O2)[O]2[V]7%10%11(=O)[O]%12[V]%13%14%10(=O)[O]7[B]7%10[O]%15[V]%16%17%18%19(=O)[V]%204(=O)([O]5[V]45%21(=O)[O]%22[V]%23%245(=O)[O]5[V]%16%22(=O)([O]%18[B]%16%18[O]%22[B]5(O[B]5%25[O]%24[B]%24([O]%26[V]%27%28(=O)([V]%29%30%26(=O)([O]%26[B]([O]4%23)(OB(O[B]%26([O]6%21)O8)O)O%24)[V]2%12(=O)([O]9%29)[O]%28%30)[O]5[V]%22([O]%13%27)([O]%14[B]%15(OB(O)O%10)O%18)=O)OB(O%25)[O-])OB(O%16)O)[O]%19%20)[O]%17[B](OB(O1)[O-])(O7)[O]3%11)=O.C(C[NH2+]CC[NH3+])[NH3+].[Na+].O.[Na+].[Na+].O.O.O.O.O.O.C(C[NH2+]CC[NH3+])[NH3+].[Na+].O.[Na+].O.[Na+].O.O.O.O |
| Title of publication | New 3-D polyoxovanadoborate architectures based on [V12B18O60]16− clusters |
| Authors of publication | Zhou, Jian; Liu, Xing; Chen, Rong; Xiao, Hong-Ping; Hu, Feilong; Zou, Huahong; Zhou, Yun; Liu, Chun; Zhu, Ligang |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 25 |
| Pages of publication | 5057 |
| a | 14.083 ± 0.003 Å |
| b | 17.226 ± 0.003 Å |
| c | 18.264 ± 0.006 Å |
| α | 90° |
| β | 128.755 ± 0.019° |
| γ | 90° |
| Cell volume | 3455.2 ± 1.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7210196.cif |
| 87056 | 2013-07-13 | cif/ Adding structures of 7210195, 7210196 via cif-deposit CGI script. |
7210196.cif |
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Users of the data should acknowledge the original authors of the
structural data.