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Information card for entry 2232485
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| Coordinates | 2232485.cif |
|---|---|
| Structure factors | 2232485.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[2-methyl-1<i>H</i>-imidazol-3-ium [(aquachloridocadmate)-di-μ-chlorido]] |
|---|---|
| Formula | C4 H9 Cd Cl3 N2 O |
| Calculated formula | C4 H9 Cd Cl3 N2 O |
| SMILES | [Cd]1(Cl)(Cl)(Cl)([OH2])[Cl][Cd]([Cl]1)(Cl)[OH2].[nH]1c(C)[nH+]cc1.[nH]1c(C)[nH+]cc1 |
| Title of publication | <i>catena</i>-Poly[2-methyl-1<i>H</i>-imidazol-3-ium [(aquachloridocadmate)-di-μ-chlorido]] |
| Authors of publication | Zhu, Run-Qiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1584 |
| a | 9.0479 ± 0.0018 Å |
| b | 14.922 ± 0.003 Å |
| c | 7.4711 ± 0.0015 Å |
| α | 90° |
| β | 94.17 ± 0.03° |
| γ | 90° |
| Cell volume | 1006 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181246 (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 2/23/24. |
2232485.cif 2232485.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. |
2232485.cif 2232485.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232485.cif 2232485.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. | 2232485.cif 2232485.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232485.cif 2232485.hkl |
| 31150 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232485 via cif-deposit CGI script. |
2232485.cif |
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Users of the data should acknowledge the original authors of the
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