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Information card for entry 7205075
Preview
| Coordinates | 7205075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H35 Cu3 Mo5 N18 O25 P2 |
|---|---|
| Calculated formula | C36 H35 Cu3 Mo5 N18 O25 P2 |
| SMILES | O.c1c[nH]c2[n]1[Cu]1(O[Mo]345(OP6(=O)[O]7[Mo]89([O]%10[Mo]%11(O8)(O[Mo]([O]3P%10(O[Mo]7(=O)(=O)(O9)O5)=[O][Cu]3([n]5c7c8[n]3cccc8ccc7ccc5)O)([O]6%11)(=O)(O4)=O)(=O)=O)(O[Cu]34([n]5c([nH]cc5)c5[n]3cc[nH]5)[n]3cc[nH]c3c3[nH]cc[n]43)=O)=O)([n]3c2[nH]cc3)[n]2c(c3[nH]cc[n]13)[nH]cc2 |
| Title of publication | Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties |
| Authors of publication | Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 2 |
| Pages of publication | 585 |
| a | 11.8981 ± 0.0005 Å |
| b | 18.8195 ± 0.0007 Å |
| c | 12.6 ± 0.0005 Å |
| α | 90° |
| β | 105.865 ± 0.001° |
| γ | 90° |
| Cell volume | 2713.88 ± 0.19 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180381 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/50. |
7205075.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205075.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205075.cif |
| 14544 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205073, 7205074, 7205075, 7205076 via cif-deposit CGI script. |
7205075.cif |
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Users of the data should acknowledge the original authors of the
structural data.