Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4112060
Preview
Coordinates | 4112060.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (CB8)2*(ADMHM)2*(I,Cl)4*34H2O |
---|---|
Chemical name | (CB8)2*(ADMHM)2*(I,Cl)4*34H2O |
Formula | C128 H231.26 Cl0.67 I3.33 N68 O66.3 |
Calculated formula | C128 H160 Cl0.668 I3.332 N68 O66.631 |
Title of publication | The Cucurbit[n]uril Family: Prime Components for Self-Sorting Systems |
Authors of publication | Simin Liu; Christian Ruspic; Pritam Mukhopadhyay; Sriparna Chakrabarti; Peter Y. Zavalij; Lyle Isaacs |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 15959 - 15967 |
a | 25.478 ± 0.003 Å |
b | 25.873 ± 0.003 Å |
c | 26.538 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 17494 ± 4 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1367 |
Residual factor for significantly intense reflections | 0.0862 |
Weighted residual factors for significantly intense reflections | 0.1937 |
Weighted residual factors for all reflections included in the refinement | 0.2111 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4112060.html
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.