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Information card for entry 4341677
Preview
| Coordinates | 4341677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H54 As2 Mo18 N18 O68 |
|---|---|
| Calculated formula | C27 H54 As2 Mo18 N18 O68 |
| SMILES | O.O.O.O.O.O.[Mo]1234(O[Mo]567(O[Mo]89%10(O[Mo]%11%12(O[Mo]%13%14%15(=O)O[Mo]%16%17([O]%18[Mo]%19%20(O[Mo]%21%22%23([O]%24%25[As]%18([O]26)[O]2[Mo]6(O[Mo]%18%26([O]%27=[As]%28([O]%29%30[Mo]%31(O[Mo]%30(O9)(O[Mo]9%29(O%31)(O[Mo]%27(O[Mo]2(O%22)(O6)(O%20)=O)(O[Mo](O%14)([O]%15%28)(O9)(O%19)=O)(=O)O%26)=O)(O%18)=O)(O%13)(O%12)=O)[O]8%11)(O%10)=O)(O[Mo]%24(O[Mo]%25(O%21)(O3)(O%16)=O)(O5)(O%23)=O)(O7)=O)=O)(O%17)=O)(O4)=O)(O1)=O)=O)=O)=O.n1(ncnc1)CCCCCn1ncnc1.n1cnn(c1)CCCCCn1ncnc1.n1(cncn1)CCCCCn1ncnc1 |
| Title of publication | pH and Ligand Dependent Assembly of Well-Dawson Arsenomolybdate Capped Architectures. |
| Authors of publication | Zhang, He; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Chunxiao; Sun, Di; Cai, Honghong; Chen, Zhaoyi; Zhou, Baibin |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Pages of publication | 141114084304005 |
| a | 13.174 ± 0.0005 Å |
| b | 16.4284 ± 0.0007 Å |
| c | 21.4212 ± 0.0009 Å |
| α | 80.657 ± 0.001° |
| β | 83.926 ± 0.001° |
| γ | 69.03° |
| Cell volume | 4265.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179519 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/16. |
4341677.cif |
| 127405 | 2014-11-16 | cif/ Adding structures of 4341677 via cif-deposit CGI script. |
4341677.cif |
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Users of the data should acknowledge the original authors of the
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