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Information card for entry 7205073
Preview
| Coordinates | 7205073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H29 Cu2 Mo5 N16 O26 P2 |
|---|---|
| Calculated formula | C24 H29 Cu2 Mo5 N16 O26 P2 |
| SMILES | O.O.[Mo]123(O[Mo]45([O]6[Mo]7(O4)([O]4[Mo]8([O]([Mo](OP4(=O)[O]15)(O8)(O3)(=O)=O)P6(=O)O2)(O7)(=O)=O)(=O)=O)(O[Cu]12([n]3c([nH]cc3)c3[n]1cc[nH]3)[n]1c([nH]cc1)c1[n]2cc[nH]1)=O)(=O)=O.[Cu]12(O)([n]3c(c4[n]2cc[nH]4)[nH]cc3)[n]2c([nH]cc2)c2[n]1cc[nH]2 |
| 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 | 10.2868 ± 0.0001 Å |
| b | 10.7031 ± 0.0002 Å |
| c | 21.5105 ± 0.0003 Å |
| α | 80.713 ± 0.001° |
| β | 84.376 ± 0.001° |
| γ | 84.733 ± 0.001° |
| Cell volume | 2319.06 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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. |
7205073.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205073.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205073.cif |
| 14544 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205073, 7205074, 7205075, 7205076 via cif-deposit CGI script. |
7205073.cif |
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Users of the data should acknowledge the original authors of the
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