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Information card for entry 4511672
Preview
| Coordinates | 4511672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H36 N8 O14 Zn2 |
|---|---|
| Calculated formula | C32 H36 N8 O14 Zn2 |
| SMILES | C1c2cccc[n]2[Zn]23([N]=1O)([N](=Cc1[n]2cccc1)O)OC(=O)CCC(=O)O[Zn]12([N](=Cc4cccc[n]14)O)([N](=Cc1cccc[n]21)O)OC(=O)CCC(=O)O3.O.O |
| Title of publication | Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity |
| Authors of publication | Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 3935 |
| a | 9.5986 ± 0.0007 Å |
| b | 9.6754 ± 0.0007 Å |
| c | 10.1798 ± 0.0007 Å |
| α | 79.665 ± 0.006° |
| β | 82.116 ± 0.006° |
| γ | 87.581 ± 0.006° |
| Cell volume | 921.12 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0671 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179663 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16. |
4511672.cif |
| 122839 | 2014-09-06 | cif/ Updating files of 4511672, 4511673, 4511674, 4511675, 4511676, 4511677, 4511678, 4511679, 4511680, 4511681, 4511682 Original log message: Adding full bibliography for 4511672--4511682.cif. |
4511672.cif |
| 120692 | 2014-07-24 | cif/ Adding structures of 4511672, 4511673, 4511674, 4511675, 4511676, 4511677, 4511678, 4511679, 4511680, 4511681, 4511682 via cif-deposit CGI script. |
4511672.cif |
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