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Information card for entry 7017727
Preview
| Coordinates | 7017727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | poly[bis(selenocyanato-N)-bis(selenocyanato-Se)-(μ2-pyrimidine-N,N')cadmium(II)] |
|---|---|
| Formula | C12 H8 Cd2 N8 Se4 |
| Calculated formula | C12 H8 Cd2 N8 Se4 |
| Title of publication | New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks. |
| Authors of publication | Jess, Inke; Boeckmann, Jan; Näther, Christian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 1 |
| Pages of publication | 228 - 236 |
| a | 8.6778 ± 0.0003 Å |
| b | 16.7503 ± 0.0005 Å |
| c | 29.2877 ± 0.0008 Å |
| α | 90° |
| β | 92.158 ± 0.002° |
| γ | 90° |
| Cell volume | 4254.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0644 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179881 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/77. |
7017727.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7017727.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017727.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017727.cif |
| 33402 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7017723, 7017724, 7017725, 7017726, 7017727, 7017728 via cif-deposit CGI script. |
7017727.cif |
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