Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036065
Preview
| Coordinates | 7036065.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H78 N2 O6 S2 |
|---|---|
| Calculated formula | C60 H78 N2 O6 S2 |
| Title of publication | Supramolecular fluorescence enhancement via coordination-driven self-assembly in bis-picolylcalixarene blue-emitting M2L2Xn macrocycles. |
| Authors of publication | Guzmán-Percástegui, Edmundo; Vonlanthen, Mireille; Quiroz-García, Beatriz; Flores-Alamo, Marcos; Rivera, Ernesto; Castillo, Ivan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 36 |
| Pages of publication | 15966 - 15975 |
| a | 11.5555 ± 0.0005 Å |
| b | 13.2415 ± 0.0005 Å |
| c | 20.806 ± 0.0007 Å |
| α | 94.145 ± 0.003° |
| β | 92.86 ± 0.003° |
| γ | 115.723 ± 0.004° |
| Cell volume | 2848.9 ± 0.2 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0906 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1603 |
| Weighted residual factors for all reflections included in the refinement | 0.1823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7036065.cif |
| 161476 | 2015-10-09 | cif/ Updating files of 7036065 Original log message: Adding full bibliography for 7036065.cif. |
7036065.cif |
| 152769 | 2015-08-05 | cif/ Adding structures of 7036065 via cif-deposit CGI script. |
7036065.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.