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Information card for entry 4310153
Preview
| Coordinates | 4310153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Li(DIPMAP)Cu(I)Cl]2.2CH3CN |
|---|---|
| Formula | C58 H72 Cl2 Cu2 Li2 N10 O2 |
| Calculated formula | C58 H72 Cl2 Cu2 Li2 N10 O2 |
| SMILES | [Cu](Cl)[N](c1c(cccc1C(C)C)C(C)C)=C1[O]2[Li]34([N](CC1)(Cc1[n]3cccc1)Cc1[n]4cccc1)[O]1[Li]342[N](CCC1=[N]([Cu]Cl)c1c(cccc1C(C)C)C(C)C)(Cc1[n]3cccc1)Cc1[n]4cccc1.N#CC.N#CC |
| 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 | 10.3087 ± 0.0008 Å |
| b | 22.191 ± 0.002 Å |
| c | 12.829 ± 0.0009 Å |
| α | 90° |
| β | 100.16 ± 0.007° |
| γ | 90° |
| Cell volume | 2888.7 ± 0.4 Å3 |
| Cell temperature | 91 ± 2 K |
| Ambient diffraction temperature | 91 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0747 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| 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. |
4310153.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310153.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310153.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). |
4310153.cif |
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