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Information card for entry 2231305
Preview
| Coordinates | 2231305.cif |
|---|---|
| Structure factors | 2231305.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{<i>N</i>-methyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane- 1,2-diamine}zinc bis(perchlorate) |
|---|---|
| Formula | C20 H30 Cl2 N6 O8 Zn |
| Calculated formula | C20 H30 Cl2 N6 O8 Zn |
| SMILES | [Zn]1234([n]5c(cccc5)C(=[N]1CC[NH]2C)C)[n]1c(cccc1)C(=[N]3CC[NH]4C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Bis{<i>N</i>-methyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine}zinc bis(perchlorate) |
| Authors of publication | Wang, Chen-Yi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1038 - m1039 |
| a | 12.7999 ± 0.0003 Å |
| b | 15.8414 ± 0.0004 Å |
| c | 13.6869 ± 0.0003 Å |
| α | 90° |
| β | 102.461 ± 0.001° |
| γ | 90° |
| Cell volume | 2709.89 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1539 |
| Weighted residual factors for all reflections included in the refinement | 0.1683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2231305.cif 2231305.hkl |
| 181235 | 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 2/23/13. |
2231305.cif 2231305.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. |
2231305.cif 2231305.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231305.cif 2231305.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231305.cif 2231305.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231305.cif 2231305.hkl |
| 27220 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231305 via cif-deposit CGI script. |
2231305.cif |
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Users of the data should acknowledge the original authors of the
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