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Information card for entry 7245911
Preview
| Coordinates | 7245911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H7 Cl2 N5 |
|---|---|
| Calculated formula | C2 H7 Cl2 N5 |
| SMILES | [nH]1[nH+]c([nH+]c1N)N.[Cl-].[Cl-] |
| Title of publication | A mixed-valence copper chloride coordination polymer composed of one-dimensional cationic and anionic substructures |
| Authors of publication | Park, Hee Sun; Lee, Jae-Chang; Jung, Myung-Hwa; Lee, Yong-Min; Nam, Wonwoo; Hur, Nam Hwi |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 14.0559 ± 0.0003 Å |
| b | 7.0932 ± 0.0002 Å |
| c | 14.1687 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1412.64 ± 0.06 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279551 (current) | 2022-11-25 | cif/ Adding structures of 7245910, 7245911 via cif-deposit CGI script. |
7245911.cif |
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