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Information card for entry 4317052
Preview
| Coordinates | 4317052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H38 B Cu N4 |
|---|---|
| Calculated formula | C42 H38 B Cu N4 |
| Title of publication | Structural Comparison of Copper(I) and Copper(II) Complexes with Tris(2-pyridylmethyl)amine Ligand |
| Authors of publication | William T. Eckenhoff; Tomislav Pintauer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 10617 - 10626 |
| a | 11.552 ± 0.004 Å |
| b | 13.797 ± 0.005 Å |
| c | 21.629 ± 0.007 Å |
| α | 89.62 ± 0.005° |
| β | 81.377 ± 0.005° |
| γ | 79.961 ± 0.005° |
| Cell volume | 3355 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1051 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1747 |
| Weighted residual factors for all reflections included in the refinement | 0.2042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| 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. |
4317052.cif |
| 179250 | 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 4/31/70. |
4317052.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4317052.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317052.cif |
| 10564 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4317052 via cif-deposit CGI script. |
4317052.cif |
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Users of the data should acknowledge the original authors of the
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