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Information card for entry 2233873
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| Coordinates | 2233873.cif |
|---|---|
| Structure factors | 2233873.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)cadmium]-bis(μ-4- nitrophenylcyanamido-κ^2^<i>N</i>^1^:<i>N</i>^3^)] |
|---|---|
| Formula | C20 H22 Cd N8 O6 |
| Calculated formula | C20 H22 Cd N8 O6 |
| SMILES | [Cd]1([O]=CN(C)C)([O]=CN(C)C)[N]#CN(c2ccc(N(=O)=O)cc2)[Cd]([O]=CN(C)C)([O]=CN(C)C)([N]#CN1c1ccc(N(=O)=O)cc1)(N=C=Nc1ccc(N(=O)=O)cc1)N(c1ccc(N(=O)=O)cc1)C#N |
| Title of publication | <i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)cadmium]-bis(μ-4-nitrophenylcyanamido-κ^2^<i>N</i>^1^:<i>N</i>^3^)] |
| Authors of publication | Chiniforoshan, Hossein; Jazestani, Mehdi; Notash, Behrouz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m232 |
| a | 5.607 ± 0.0011 Å |
| b | 9.811 ± 0.002 Å |
| c | 11.679 ± 0.002 Å |
| α | 67.44 ± 0.03° |
| β | 81.93 ± 0.03° |
| γ | 84.28 ± 0.03° |
| Cell volume | 586.7 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (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 2/23/38. |
2233873.cif 2233873.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. |
2233873.cif 2233873.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233873.cif 2233873.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. | 2233873.cif 2233873.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233873.cif 2233873.hkl |
| 51125 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233873 via cif-deposit CGI script. |
2233873.cif |
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Users of the data should acknowledge the original authors of the
structural data.