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Information card for entry 2019112
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| Coordinates | 2019112.cif |
|---|---|
| Structure factors | 2019112.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[cadmium(II)-di-μ-chlorido-μ-(4-azonia-1-azabicyclo[2.2.2]octane-1-carboxylato)] [aquadi-μ-chlorido-chloridocadmium(II)] dihydrate] |
|---|---|
| Formula | C8 H21 Cd2 Cl5 N2 O5 |
| Calculated formula | C8 H21 Cd2 Cl5 N2 O5 |
| SMILES | [Cd]12[Cl][Cd](Cl)(Cl)([Cl]2)(OC(=O)C[N+]23CC[NH+](CC2)CC3)[O]=C(O1)C[N+]23CC[NH+](CC2)CC3.[Cd]1([OH2])(Cl)[Cl][Cd]([OH2])([Cl]1)(Cl)(Cl)Cl.O.O.O.O |
| Title of publication | A novel cadmium(II) coordination polymer containing two kinds of independent one-dimensional chain |
| Authors of publication | Liao, Wei-Qiang; Zhang, Yi |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | 829 - 832 |
| a | 7.4502 ± 0.0015 Å |
| b | 16.337 ± 0.003 Å |
| c | 30.484 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3710.3 ± 1.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0736 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (current) | 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 2/01/91. |
2019112.cif 2019112.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019112.cif 2019112.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019112.cif 2019112.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019112.cif 2019112.hkl |
| 88320 | 2013-09-04 | cif/ Adding structures of 2019112 via cif-deposit CGI script. |
2019112.cif |
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Users of the data should acknowledge the original authors of the
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