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Information card for entry 2235284
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| Coordinates | 2235284.cif |
|---|---|
| Structure factors | 2235284.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[cadmium-μ-[1,3-bis(imidazol-1-yl)propane]-di-μ-chlorido] |
|---|---|
| Formula | C9 H12 Cd Cl2 N4 |
| Calculated formula | C9 H12 Cd Cl2 N4 |
| SMILES | [Cd]12([Cl][Cd]([Cl]1)[n]1ccn(CCCn3c[n]2cc3)c1)(Cl)(Cl)[n]1ccn(CCCn2cncc2)c1 |
| Title of publication | <i>catena</i>-Poly[cadmium-μ-[1,3-bis(imidazol-1-yl)propane]-di-μ-chlorido] |
| Authors of publication | Shen, Qiao-Lian; Lin, Hong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m776 |
| a | 15.1617 ± 0.0016 Å |
| b | 9.981 ± 0.0011 Å |
| c | 7.8022 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1180.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 significantly intense reflections | 0.0134 |
| Weighted residual factors for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.0365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181274 (current) | 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 2/23/52. |
2235284.cif 2235284.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. |
2235284.cif 2235284.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235284.cif 2235284.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. | 2235284.cif 2235284.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235284.cif 2235284.hkl |
| 61968 | 2012-07-05 | cif/ Adding structures of 2235284 via cif-deposit CGI script. |
2235284.cif |
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Users of the data should acknowledge the original authors of the
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