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Information card for entry 4322049
Preview
| Coordinates | 4322049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 Cl3 Cu3 N4 |
|---|---|
| Calculated formula | C14 H10 Cl3 Cu3 N4 |
| Title of publication | Solid State Coordination Chemistry of the Copper Halide- and Pseudo-Halide-Organoamine System, Cu-X-[(bis-2,3-(2-pyridyl)pyrazine)] (X = Cl, Br, CN): Hydrothermal Synthesis and Structural Characterization |
| Authors of publication | Douglas J. Chesnut; Anakarin Kusnetzow; Robert R. Birge; Jon Zubieta |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 2663 - 2671 |
| a | 18.6778 ± 0.0005 Å |
| b | 5.1046 ± 0.0002 Å |
| c | 16.6257 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1585.14 ± 0.08 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0942 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections | 0.1271 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Goodness-of-fit parameter for all reflections | 1.159 |
| Goodness-of-fit parameter for significantly intense reflections | 1.191 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179323 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/20. |
4322049.cif |
| 131580 | 2015-02-08 | cif/ (antanas@koala.ibt.lt) Replacing typo ".." values with ".". |
4322049.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322049.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322049.cif |
| 19939 | 2011-05-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4322049 via cif-deposit CGI script. |
4322049.cif |
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Users of the data should acknowledge the original authors of the
structural data.