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Information card for entry 7205774
Preview
| Coordinates | 7205774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H42 Cu3 Mo12 N12 O40 P |
|---|---|
| Calculated formula | C42 H42 Cu3 Mo12 N12 O40 P |
| SMILES | [Mo]1234([O]56[Mo]78(O3)(O[Mo]39%10([O]%11%12[Mo]%13(O[Mo]%14%11(O3)(O[Mo]3%11%15(O[Mo]%16([O]%17%11[Mo]%11(O%15)(O%16)(O[Mo]%15%16(O[Mo]%18(O3)([O]%15([Mo](O9)(O%18)(O%16)([O])O8)=P6%12%17)(O%14)=O)(O[Mo]5(O4)(O7)(=O)O%11)=O)=O)(O2)(O%13)=O)=O)=O)(O1)(=O)O%10)=O)=O)=O.[Cu]1[n]2cccn2Cc2ccc(cc2)Cn2ccc[n]2[Cu][n]2cccn2Cc2ccc(cc2)Cn2ccc[n]2[Cu][n]2cccn2Cc2ccc(cc2)Cn2ccc[n]12 |
| Title of publication | Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains |
| Authors of publication | Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 10 |
| Pages of publication | 3526 |
| a | 19.675 ± 0.002 Å |
| b | 36.612 ± 0.0013 Å |
| c | 27.69 ± 0.003 Å |
| α | 90° |
| β | 134.453 ± 0.019° |
| γ | 90° |
| Cell volume | 14238 ± 5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0789 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180388 (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 7/20/57. |
7205774.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205774.cif |
| 70898 | 2013-01-11 | Adding SMILES for a number of checked compounds with oxygen "in brackets" |
7205774.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205774.cif |
| 21007 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205773, 7205774, 7205775, 7205776, 7205777, 7205778 via cif-deposit CGI script. |
7205774.cif |
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Users of the data should acknowledge the original authors of the
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