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Information card for entry 7220598
Preview
| Coordinates | 7220598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H12 Cu0.5 N5 O6 S |
|---|---|
| Calculated formula | C9 H12 Cu0.5 N5 O6 S |
| Title of publication | Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand |
| Authors of publication | Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 27 |
| Pages of publication | 5054 |
| a | 13.8786 ± 0.0008 Å |
| b | 13.6808 ± 0.0006 Å |
| c | 16.6792 ± 0.0011 Å |
| α | 90° |
| β | 112.229 ± 0.003° |
| γ | 90° |
| Cell volume | 2931.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0456 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7220598.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220598.cif |
| 143424 | 2015-07-10 | cif/ Updating files of 7220595, 7220596, 7220597, 7220598, 7220599, 7220600, 7220601, 7220602, 7220603, 7220604, 7220605 Original log message: Adding full bibliography for 7220595--7220605.cif. |
7220598.cif |
| 137640 | 2015-06-02 | cif/ Adding structures of 7220595, 7220596, 7220597, 7220598, 7220599, 7220600, 7220601, 7220602, 7220603, 7220604, 7220605 via cif-deposit CGI script. |
7220598.cif |
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Users of the data should acknowledge the original authors of the
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