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Information card for entry 4309633
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| Coordinates | 4309633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 03189 |
|---|---|
| Chemical name | (PhMe)LiPr2Cu(MeCN) |
| Formula | C34 H44 Cu N3 |
| Calculated formula | C34 H44 Cu N3 |
| SMILES | [Cu]1(N(c2ccccc2C(=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[N]#CC |
| Title of publication | Characterization of a 1:1 Cu-O2 Adduct Supported by an Anilido Imine Ligand |
| Authors of publication | Anne M. Reynolds; Benjamin F. Gherman; Christopher J. Cramer; William B. Tolman |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 6989 - 6997 |
| a | 10.1334 ± 0.0005 Å |
| b | 20.1075 ± 0.0011 Å |
| c | 15.9863 ± 0.0009 Å |
| α | 90° |
| β | 105.508 ± 0.001° |
| γ | 90° |
| Cell volume | 3138.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179134 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/96. |
4309633.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4309633.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309633.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309633.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). |
4309633.cif |
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Users of the data should acknowledge the original authors of the
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