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Information card for entry 4503913
Preview
| Coordinates | 4503913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 Cu2 N4 S3 |
|---|---|
| Calculated formula | C12 H8 Cu2 N4 S3 |
| Title of publication | Ligand Concentration Controlled Supramolecular Isomerism in Two CuSCN Based Coordination Polymers with in Situ Synthesized 4,4‘-Dipyridylsulfide as a Co-Ligand |
| Authors of publication | Hao, Zheng-Ming; Zhang, Xian-Ming |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 64 |
| a | 9.2011 ± 0.0017 Å |
| b | 5.7246 ± 0.001 Å |
| c | 14.876 ± 0.003 Å |
| α | 90° |
| β | 104.855 ± 0.003° |
| γ | 90° |
| Cell volume | 757.4 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1191 |
| Residual factor for significantly intense reflections | 0.0716 |
| Weighted residual factors for significantly intense reflections | 0.1711 |
| Weighted residual factors for all reflections included in the refinement | 0.1961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179574 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/39. |
4503913.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503913.cif |
| 44811 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4503912, 4503913 via cif-deposit CGI script. |
4503913.cif |
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Users of the data should acknowledge the original authors of the
structural data.