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Information card for entry 2227913
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| Coordinates | 2227913.cif |
|---|---|
| Structure factors | 2227913.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(2-{[2-(piperazin-4-ium-1-yl)ethyl]iminomethyl}phenolate)cadmium(II) |
|---|---|
| Formula | C13 H19 Cd Cl2 N3 O |
| Calculated formula | C13 H19 Cd Cl2 N3 O |
| SMILES | [Cd]12(Cl)(Cl)Oc3ccccc3C=[N]1CC[N]12CC[NH2+]CC1 |
| Title of publication | Dichlorido(2-{[2-(piperazin-4-ium-1-yl)ethyl]iminomethyl}phenolate)cadmium(II) |
| Authors of publication | Saleh Salga, Muhammad; Khaledi, Hamid; Mohd Ali, Hapipah |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1131 |
| a | 14.7512 ± 0.0016 Å |
| b | 13.1406 ± 0.0015 Å |
| c | 16.6188 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3221.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0196 |
| Residual factor for significantly intense reflections | 0.0169 |
| Weighted residual factors for significantly intense reflections | 0.0428 |
| Weighted residual factors for all reflections included in the refinement | 0.0445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181200 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/79. |
2227913.cif 2227913.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227913.cif 2227913.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227913.cif 2227913.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. | 2227913.cif 2227913.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227913.cif 2227913.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227913.cif 2227913.hkl |
| 4950 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227913 via cif-deposit CGI script. |
2227913.cif |
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Users of the data should acknowledge the original authors of the
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