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Information card for entry 2239275
Preview
| Coordinates | 2239275.cif |
|---|---|
| Structure factors | 2239275.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (μ-Acetato-κ^2^<i>O</i>:<i>O</i>')[μ-2,6-bis({bis[(pyridin-2-yl-κ<i>N</i>)methyl]amino-κ<i>N</i>}methyl)-4-methylphenolato-κ^2^<i>O</i>:<i>O</i>](methanol-κ<i>O</i>)dizinc bis(perchlorate) |
|---|---|
| Formula | C36 H40 Cl2 N6 O12 Zn2 |
| Calculated formula | C36 H40 Cl2 N6 O12 Zn2 |
| Title of publication | (μ-Acetato-κ^2^<i>O</i>:<i>O</i>')[μ-2,6-bis({bis[(pyridin-2-yl-κ<i>N</i>)methyl]amino-κ<i>N</i>}methyl)-4-methylphenolato-κ^2^<i>O</i>:<i>O</i>](methanol-κ<i>O</i>)dizinc bis(perchlorate) |
| Authors of publication | Das, Biswanath; Haukka, Matti; Nordlander, Ebbe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | m120 - m121 |
| a | 10.0543 ± 0.0004 Å |
| b | 10.7342 ± 0.0004 Å |
| c | 18.7836 ± 0.0007 Å |
| α | 86.32 ± 0.002° |
| β | 80.372 ± 0.002° |
| γ | 78.185 ± 0.002° |
| Cell volume | 1955.38 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| 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 | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239275.cif 2239275.hkl |
| 181892 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239275.cif 2239275.hkl |
| 181311 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/92. |
2239275.cif 2239275.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239275.cif 2239275.hkl |
| 108847 | 2014-04-03 | cif/ hkl/ Adding structures of 2239275 via cif-deposit CGI script. |
2239275.cif 2239275.hkl |
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Users of the data should acknowledge the original authors of the
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