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Information card for entry 7212510
Preview
| Coordinates | 7212510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H73 Mo18 N9 O88 P2 |
|---|---|
| Calculated formula | C18 H30 Mo18 N9 O88 P2 |
| SMILES | [Mo]1234(O[Mo]567(O[Mo]89%10(O[Mo]%11%12(O[Mo]%13%14([O]%15%16[Mo]%17%18(O[Mo]%19%20(O[Mo]%21%22(O[Mo]%23%24%25(O[Mo]%26%27(O[Mo]%28(O[Mo]%29%30%31(O[Mo]%32%33(O[Mo]%34%35([O]%23([Mo](O%34)(O8)(O5)(O%24)=O)P(=O%10%22)([O]7[Mo](O[Mo](O[Mo]%15(O%29)(O%18)(O%14)=O)(O%30)([O]3=P%16([O]%28%31)[O]%12%20)(O4)=O)(O%32)(O%35)(O6)=O)[O]%27%33)(O%25)=O)(=O)O%26)=O)(O%19)(O%17)=O)(=O)O%21)=O)(O9)=O)(O%11)=O)(O%13)=O)(O1)=O)(=O)O2)=O)=O)=O.[NH3+][C@H](Cc1c[nH]c[nH+]1)C(=O)[O-].c1(C[C@@H]([NH3+])C(=O)[O-])[nH+]c[nH]c1.c1[nH+]c[nH]c1C[C@@H]([NH3+])C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine |
| Authors of publication | Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 7 |
| Pages of publication | 2044 |
| a | 20.443 ± 0.004 Å |
| b | 11.573 ± 0.002 Å |
| c | 21.276 ± 0.004 Å |
| α | 90° |
| β | 112.15 ± 0.03° |
| γ | 90° |
| Cell volume | 4662.1 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0387 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180456 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/25. |
7212510.cif |
| 93074 | 2014-01-12 | cif/ Adding structures of 7212509, 7212510, 7212511 via cif-deposit CGI script. |
7212510.cif |
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Users of the data should acknowledge the original authors of the
structural data.