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Information card for entry 4319941
Preview
| Coordinates | 4319941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H8 Cu2 N16 |
|---|---|
| Calculated formula | C7 H8 Cu2 N16 |
| Title of publication | Ferromagnetic Coupling in a One-Dimensional Molecular Railroad Copper(II) Azido Compound Containing a Defective Double Cubane Motif |
| Authors of publication | Lei Zhang; Liang-Fu Tang; Zhi-Hong Wang; Miao Du; Miguel Julve; Francesc Lloret; Ji-Tao Wang |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 3619 - 3622 |
| a | 7.4073 ± 0.0006 Å |
| b | 9.847 ± 0.0008 Å |
| c | 11.9043 ± 0.001 Å |
| α | 110.756 ± 0.002° |
| β | 97.626 ± 0.001° |
| γ | 103.771 ± 0.002° |
| Cell volume | 765.75 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4319941.cif |
| 179279 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/99. |
4319941.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319941.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319941.cif |
| 16746 | 2011-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4319941 via cif-deposit CGI script. |
4319941.cif |
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Users of the data should acknowledge the original authors of the
structural data.