Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4516317
Preview
| Coordinates | 4516317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H42 Cl2 Cu2 N12 O15 |
|---|---|
| Calculated formula | C44 H42 Cl2 Cu2 N12 O15 |
| Title of publication | Chiral Recognition between Metallohelicates via Strong H Bonds: Homochiral Bishelical Coupling and Mesohelical Polymerization |
| Authors of publication | Sanmartín-Matalobos, Jesús; Portela-García, Cristina; Fondo, Matilde; García-Deibe, Ana M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 4318 |
| a | 13.2562 ± 0.0006 Å |
| b | 14.6172 ± 0.0006 Å |
| c | 15.7489 ± 0.0006 Å |
| α | 95.369 ± 0.002° |
| β | 111.117 ± 0.002° |
| γ | 114.983 ± 0.002° |
| Cell volume | 2468.99 ± 0.19 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 | 0.1667 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.1342 |
| Weighted residual factors for all reflections included in the refinement | 0.1669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231245 (current) | 2019-11-22 | cif/ Adding structures of 4516317 via cif-deposit CGI script. |
4516317.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.