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Information card for entry 4310152
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| Coordinates | 4310152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (DIPMAP)Cu(I)Cl.n-BuCN |
|---|---|
| Formula | C31 H41 Cl Cu N5 O |
| Calculated formula | C31 H41 Cl Cu N5 O |
| SMILES | [Cu]12(Cl)[N](Cc3[n]1cccc3)(Cc1[n]2cccc1)CCC(=O)Nc1c(cccc1C(C)C)C(C)C.N#CCCC |
| Title of publication | Copper(I) and -(II) Complexes of Neutral and Deprotonated N-(2,6-Diisopropylphenyl)-3-[bis(2-pyridylmethyl)amino]propanamide |
| Authors of publication | Timothy E. Patten; Christina Troeltzsch; Marilyn M. Olmstead |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 9197 - 9206 |
| a | 8.5385 ± 0.0006 Å |
| b | 9.6593 ± 0.0006 Å |
| c | 9.837 ± 0.0007 Å |
| α | 103.197 ± 0.001° |
| β | 106.646 ± 0.001° |
| γ | 94.001 ± 0.001° |
| Cell volume | 748.8 ± 0.09 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0277 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0725 |
| Weighted residual factors for all reflections included in the refinement | 0.0728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179140 (current) | 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 4/31/01. |
4310152.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310152.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310152.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4310152.cif |
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Users of the data should acknowledge the original authors of the
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