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Information card for entry 2020488
Preview
| Coordinates | 2020488.cif |
|---|---|
| Structure factors | 2020488.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[bis[4-bromo-2-({[2-(pyrrolidin-1-yl)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]di-μ~3~-chlorido-di-μ~2~-chlorido-bis(methanol-κ<i>O</i>)tricadmium(II)] |
|---|---|
| Formula | C28 H40 Br2 Cd3 Cl4 N4 O4 |
| Calculated formula | C28 H40 Br2 Cd3 Cl4 N4 O4 |
| SMILES | [Cd]12([OH]C)([OH]C)([Cl][Cd]34([Cl]1)Oc1c(C=[N]3CC[N]34CCCC3)cc(Br)cc1)[Cl][Cd]13([Cl]2)Oc2c(C=[N]3CC[N]31CCCC3)cc(Br)cc2 |
| Title of publication | Crystal structure and photoluminescence properties of a new Cd^II^ coordination polymer <i>catena</i>-poly[bis[4-bromo-2-({[2-(pyrrolidin-1-yl)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]di-μ~3~-chlorido-di-μ~2~-chlorido-bis(methanol-κ<i>O</i>)tricadmium(II)] |
| Authors of publication | Yahsi, Yasemin; Ozbek, Hatice; Aygun, Muhittin; Kara, Hulya |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 426 - 431 |
| a | 8.1048 ± 0.0004 Å |
| b | 10.3928 ± 0.0006 Å |
| c | 11.574 ± 0.0006 Å |
| α | 100.957 ± 0.005° |
| β | 96.178 ± 0.004° |
| γ | 99.694 ± 0.005° |
| Cell volume | 933.59 ± 0.09 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0343 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183644 (current) | 2016-06-17 | cif/ Updating files of 2020488 Original log message: Adding full bibliography for 2020488.cif. |
2020488.cif 2020488.hkl |
| 182197 | 2016-04-19 | cif/ hkl/ Adding structures of 2020488 via cif-deposit CGI script. |
2020488.cif 2020488.hkl |
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