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Information card for entry 2019470
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| Coordinates | 2019470.cif |
|---|---|
| Structure factors | 2019470.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[bis[(<i>S</i>)-2-methylpiperazine-1,4-diium] [bis[trichloridocadmium(II)]-di-μ~3~-chlorido]] |
|---|---|
| Formula | C5 H14 Cd Cl4 N2 |
| Calculated formula | C5 H14 Cd Cl4 N2 |
| SMILES | [Cd]1(Cl)(Cl)(Cl)[Cl]2[Cd](Cl)(Cl)(Cl)([Cl]1)[Cl]1[Cd]2(Cl)(Cl)(Cl)[Cl][Cd]1(Cl)(Cl)Cl.[C@@H]1(C[NH2+]CC[NH2+]1)C.[C@@H]1(C[NH2+]CC[NH2+]1)C.[C@@H]1(C[NH2+]CC[NH2+]1)C.[C@@H]1(C[NH2+]CC[NH2+]1)C |
| Title of publication | A one-dimensional ladder-like six-coordinate cadmium polymer: <i>catena</i>-poly[bis[(<i>S</i>)-2-methylpiperazine-1,4-diium] [bis[trichloridocadmium(II)]-di-μ~3~-chlorido]] |
| Authors of publication | Wu, De-Hong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | 445 - 448 |
| a | 13.342 ± 0.007 Å |
| b | 5.853 ± 0.003 Å |
| c | 15.404 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1202.9 ± 1.1 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0472 |
| Weighted residual factors for all reflections included in the refinement | 0.0478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019470.cif 2019470.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019470.cif 2019470.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2019470.cif 2019470.hkl |
| 115949 | 2014-06-06 | cif/ Updating files of 2019470 Original log message: Adding full bibliography for 2019470.cif. |
2019470.cif 2019470.hkl |
| 109377 | 2014-04-11 | cif/ hkl/ Adding structures of 2019470 via cif-deposit CGI script. |
2019470.cif 2019470.hkl |
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