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Information card for entry 2231181
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| Coordinates | 2231181.cif |
|---|---|
| Structure factors | 2231181.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[(dichloridocadmium)-di-μ-chlorido- [bis(morpholinium-κ<i>O</i>)cadmium]-di-μ-chlorido] |
|---|---|
| Formula | C8 H20 Cd2 Cl6 N2 O2 |
| Calculated formula | C8 H20 Cd2 Cl6 N2 O2 |
| SMILES | [Cd]1([Cl][Cd]2(Cl)([Cl]1)(Cl)[Cl][Cd]1([Cl][Cd](Cl)([Cl]1)Cl)([Cl]2)([O]1CC[NH2+]CC1)[O]1CC[NH2+]CC1)(Cl)(Cl)([O]1CC[NH2+]CC1)[O]1CC[NH2+]CC1 |
| Title of publication | <i>catena</i>-Poly[(dichloridocadmium)-di-μ-chlorido-[bis(morpholinium-κ<i>O</i>)cadmium]-di-μ-chlorido] |
| Authors of publication | Wang, Wen-xiang; Dai, Jing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1144 |
| a | 7.0496 ± 0.0014 Å |
| b | 14.404 ± 0.003 Å |
| c | 17.583 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1785.4 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0252 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for significantly intense reflections | 0.0499 |
| Weighted residual factors for all reflections included in the refinement | 0.0506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181233 (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 2/23/11. |
2231181.cif 2231181.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2231181.cif 2231181.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231181.cif 2231181.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. | 2231181.cif 2231181.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231181.cif 2231181.hkl |
| 27089 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231181 via cif-deposit CGI script. |
2231181.cif |
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Users of the data should acknowledge the original authors of the
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