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Information card for entry 2020330
Preview
| Coordinates | 2020330.cif |
|---|---|
| Structure factors | 2020330.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tribromido[μ-<i>N</i>,<i>N</i>,<i>N</i>'-tris(pyridin-2-ylmethyl)ethylenediamine-<i>N</i>'-acetato]dizinc(II) |
|---|---|
| Formula | C22 H24 Br3 N5 O2 Zn2 |
| Calculated formula | C22 H24 Br3 N5 O2 Zn2 |
| SMILES | [Zn]12345[n]6ccccc6C[N]3(Cc3[n]1cccc3)CC[N]4(Cc1[n]2cccc1)CC(O5)=[O][Zn](Br)(Br)Br |
| Title of publication | A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl) |
| Authors of publication | Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 68 - 74 |
| a | 18.7061 ± 0.0012 Å |
| b | 13.3342 ± 0.0009 Å |
| c | 20.4516 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5101.3 ± 0.6 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.074 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181873 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020330.cif 2020330.hkl |
| 176623 | 2016-02-17 | cif/ Updating files of 2020329, 2020330, 2020331 Original log message: Adding full bibliography for 2020329--2020331.cif. |
2020330.cif 2020330.hkl |
| 176572 | 2016-02-17 | cif/ Updating files of 2020329, 2020330, 2020331 Original log message: Adding full bibliography for 2020329--2020331.cif. |
2020330.cif 2020330.hkl |
| 171703 | 2015-12-23 | cif/ hkl/ Adding structures of 2020329, 2020330, 2020331 via cif-deposit CGI script. |
2020330.cif 2020330.hkl |
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Users of the data should acknowledge the original authors of the
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