Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242977
Preview
| Coordinates | 2242977.cif |
|---|---|
| Structure factors | 2242977.hkl |
| Original IUCr paper | HTML |
| Common name | Aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2<i>R</i>,3<i>R</i>)-\ tartrato(4-)]dicopper(II) octahydrate |
|---|---|
| Chemical name | Aqua-1κ<i>O</i>-bis(4,4'-dimethoxy-2,2'-bipyridine)-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-[μ-(2<i>R</i>,3<i>R</i>)-2,3-dioxidosuccinato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dicopper(II) octahydrate |
| Formula | C28 H44 Cu2 N4 O19 |
| Calculated formula | C28 H44 Cu2 N4 O19 |
| SMILES | c1cc(cc2c3cc(cc[n]3[Cu]3([n]12)(O[C@H]([C@@H]1C(=O)O[Cu]2([n]4ccc(cc4c4cc(cc[n]24)OC)OC)O1)C(=O)O3)[OH2])OC)OC.O.O.O.O.O.O.O.O |
| Title of publication | Synthesis, characterization, and crystal structure of aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2<i>R</i>,3<i>R</i>)-tartrato(4{-})]dicopper(II) octahydrate |
| Authors of publication | Wiedemann, Dennis; Kulko, Roman-David; Grohmann, Andreas |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 7 |
| Pages of publication | 972 - 975 |
| a | 8.5134 ± 0.0004 Å |
| b | 23.7812 ± 0.0009 Å |
| c | 8.9028 ± 0.0004 Å |
| α | 90° |
| β | 101.401 ± 0.004° |
| γ | 90° |
| Cell volume | 1766.88 ± 0.14 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215869 (current) | 2019-06-12 | cif/ hkl/ Adding structures of 2242977 via cif-deposit CGI script. |
2242977.cif 2242977.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.