Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4345613
Preview
| Coordinates | 4345613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H56 Cl4 Cu2 N8 O19 |
|---|---|
| Calculated formula | C25 H56 Cl4 Cu2 N8 O19 |
| Title of publication | Cu(II)-Based Paramagnetic Probe to Study RNA-Protein Interactions by NMR. |
| Authors of publication | Seebald, Leah M.; DeMott, Christopher M.; Ranganathan, Srivathsan; Asare Okai, Papa Nii; Glazunova, Anastasia; Chen, Alan; Shekhtman, Alexander; Royzen, Maksim |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 3773 - 3780 |
| a | 9.0213 ± 0.0009 Å |
| b | 15.0522 ± 0.0016 Å |
| c | 16.1154 ± 0.0016 Å |
| α | 106.069 ± 0.002° |
| β | 92.379 ± 0.002° |
| γ | 93.841 ± 0.002° |
| Cell volume | 2094 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.0794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4345613.cif |
| 194725 | 2017-04-04 | cif/ Adding structures of 4345613 via cif-deposit CGI script. |
4345613.cif |
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.