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Information card for entry 2231365
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| Coordinates | 2231365.cif |
|---|---|
| Structure factors | 2231365.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[(μ-2-amino-1,3,4-thiadiazole- κ^2^<i>N</i>^3^:<i>N</i>^4^)di-μ-chlorido-cadmium] |
|---|---|
| Formula | C2 H3 Cd Cl2 N3 S |
| Calculated formula | C2 H3 Cd Cl2 N3 S |
| SMILES | [Cd]12[n]3[n](c(sc3)N)[Cd]([Cl]1)([Cl]2)(Cl)(Cl)[n]1nc(sc1)N |
| Title of publication | <i>catena</i>-Poly[(μ-2-amino-1,3,4-thiadiazole-κ^2^<i>N</i>^3^:<i>N</i>^4^)di-μ-chlorido-cadmium] |
| Authors of publication | Suen, Maw-Cherng; Yeh, Chun-Wei; Jou, Chi-Hsiung |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1082 |
| a | 7.7264 ± 0.0006 Å |
| b | 7.2227 ± 0.0006 Å |
| c | 12.7608 ± 0.0011 Å |
| α | 90° |
| β | 95.489 ± 0.002° |
| γ | 90° |
| Cell volume | 708.86 ± 0.1 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0223 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.0555 |
| Weighted residual factors for all reflections included in the refinement | 0.0561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181235 (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 2/23/13. |
2231365.cif 2231365.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. |
2231365.cif 2231365.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231365.cif 2231365.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. | 2231365.cif 2231365.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231365.cif 2231365.hkl |
| 27282 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231365 via cif-deposit CGI script. |
2231365.cif |
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Users of the data should acknowledge the original authors of the
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