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Information card for entry 7211148
Preview
| Coordinates | 7211148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H146 N10 O32 P6 Zn7 |
|---|---|
| Calculated formula | C108 H146 N10 O32 P6 Zn7 |
| SMILES | C1[N]2(CC(=O)O[Zn]342[O]2P51=[O][Zn]167OP8(=[O]3)C[N]3(Cc9cccc%10c9cccc%10)CC(=O)O[Zn]9%103[O]=P3%11C[N]%12(CC(=O)O[Zn]%13%14%12[O]3[Zn]3%122([O]89)[O]2P(O%13)(=[O][Zn]89([N](CP(=[O]4)([O]38)O%10)(CC(=O)O9)Cc3cccc4ccccc34)O%11)C[N]3(CC(=O)O[Zn]23(O5)[O]=P(C[N]1(CC(=O)O7)Cc1cccc2ccccc12)([O]6%12)O%14)Cc1cccc2ccccc12)Cc1cccc2ccccc12)Cc1cccc2ccccc12.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.O.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.O |
| Title of publication | Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation |
| Authors of publication | Fu, Ruibiao; Hu, Shengmin; Wu, Xintao |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 44 |
| Pages of publication | 8937 |
| a | 15.8046 ± 0.001 Å |
| b | 18.7688 ± 0.001 Å |
| c | 20.6949 ± 0.0012 Å |
| α | 90° |
| β | 102.839 ± 0.003° |
| γ | 90° |
| Cell volume | 5985.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0887 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.1593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180442 (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 7/21/11. |
7211148.cif |
| 90214 | 2013-11-17 | cif/ Adding structures of 7211148, 7211149, 7211150, 7211151 via cif-deposit CGI script. |
7211148.cif |
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Users of the data should acknowledge the original authors of the
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