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Information card for entry 8102556
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| Coordinates | 8102556.cif |
|---|---|
| External links | PubChem |
| Chemical name | [Cu(N~3~)~2~(Py)~2~H~2~O] |
|---|---|
| Formula | C10 H12 Cu N8 O |
| Calculated formula | C10 H12 Cu N8 O |
| SMILES | [Cu]([n]1ccccc1)([n]1ccccc1)(N=N#N)(N=N#N)[OH2] |
| Title of publication | Crystal structure of aquadiazidobipyridylcopper(II), Cu(H2O)(N3)2(C5H5N)2 |
| Authors of publication | De-Liang Ma; Feng Gao; Zai-Sheng Lu; De-Zhong Niu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 4 |
| Pages of publication | 685 |
| a | 7.9099 ± 0.0011 Å |
| b | 8.6502 ± 0.0006 Å |
| c | 10.8652 ± 0.0014 Å |
| α | 71.126 ± 0.001° |
| β | 86.694 ± 0.002° |
| γ | 74.918 ± 0.001° |
| Cell volume | 678.93 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0947 |
| Residual factor for significantly intense reflections | 0.0861 |
| Weighted residual factors for significantly intense reflections | 0.2141 |
| Weighted residual factors for all reflections included in the refinement | 0.2285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102556.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102556.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102556.cif |
| 13295 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102556 via cif-deposit CGI script. |
8102556.cif |
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Users of the data should acknowledge the original authors of the
structural data.