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Information card for entry 4511890
Preview
| Coordinates | 4511890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H62 N4 Na4 O77 Se2 W18 |
|---|---|
| Calculated formula | C8 H32 N4 Na2.01 O68 Se2 W18 |
| SMILES | C[NH2+]C.C[NH2+]C.O=[W]1234O[W]567(=O)O[W]8(=O)(O[W]9%10%11(O[W]%12%13(O5)(O[W]5(=O)(=O)(O[W]%14(=O)(=O)(O[W]%15%16(=O)([O]([W](O8)(O%15)(O[W]8%15%17(O[W]%18%19(O9)(=O)O[W]9%20(O[W]%21%22%23(=O)[O]%24[Se](=[O]8[W]8(O%15)(O[W](O[W]%24(=O)(O%23)(O8)O[W](=O)(O%18)(O%21)O%17)(=O)(O[W](=O)(O%22)(O5)(O%20)=O)(O%14)=O)(O%16)=O)[O]%199)(=O)O%13)=O)(O%11)=O)[Se](=[O]%10%12)[O]36)O4)O1)O7)=O)=O)O2.O.O.O.O.[Na+].C[NH2+]C.C[NH2+]C.[Na+] |
| Title of publication | Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates |
| Authors of publication | Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 5099 |
| a | 28.706 ± 0.005 Å |
| b | 13.68 ± 0.0018 Å |
| c | 22.75 ± 0.004 Å |
| α | 90° |
| β | 114.522 ± 0.004° |
| γ | 90° |
| Cell volume | 8128 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1455 |
| Weighted residual factors for all reflections included in the refinement | 0.1538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179665 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/18. |
4511890.cif |
| 124633 | 2014-10-06 | cif/ Updating files of 4511888, 4511889, 4511890, 4511891, 4511892 Original log message: Adding full bibliography for 4511888--4511892.cif. |
4511890.cif |
| 122567 | 2014-08-28 | cif/ Adding structures of 4511890 via cif-deposit CGI script. |
4511890.cif |
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Users of the data should acknowledge the original authors of the
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