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Information card for entry 1542488
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| Coordinates | 1542488.cif |
|---|---|
| Structure factors | 1542488.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethan-1-aminium}dichloridozinc(II) |
|---|---|
| Formula | C6 H16 Cl2 N2 O2 S2 Zn |
| Calculated formula | C6 H16 Cl2 N2 O2 S2 Zn |
| SMILES | [Zn](Cl)(Cl)([NH2]CCSSCC[NH3+])OC(=O)C |
| Title of publication | (Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethanaminium}dichloridozinc(II) |
| Authors of publication | Kuwamura, Naoto; Laskar, Payel; Konno, Takumi |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x160105 |
| a | 6.907 ± 0.004 Å |
| b | 10.32 ± 0.007 Å |
| c | 10.707 ± 0.007 Å |
| α | 68.331 ± 0.014° |
| β | 81.936 ± 0.015° |
| γ | 71.917 ± 0.012° |
| Cell volume | 673.9 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0639 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542488.cif 1542488.hkl |
| 177537 | 2016-03-04 | cif/ Updating files of 1542488 Original log message: Adding full bibliography for 1542488.cif. |
1542488.cif 1542488.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542488.cif 1542488.hkl |
| 176544 | 2016-02-17 | cif/ hkl/ Adding structures of 1542488 via cif-deposit CGI script. |
1542488.cif 1542488.hkl |
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Users of the data should acknowledge the original authors of the
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