Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7712503
Preview
| Coordinates | 7712503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H256 Cu2 F12 N4 O119 P2 |
|---|---|
| Calculated formula | C120 H186 Cu2 F12 N4 O119 P2 |
| Title of publication | Structure and modified property of an inclusion complex of self-dimerised Cu(II) complex in γ-cyclodextrines |
| Authors of publication | Hamaguchi, Tomohiko; Ishikawa, Ryuta; Mishima, Akio; Hayami, Shinya; Ohba, Masaaki; Satoh, Minoru; Kawata, Satoshi |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 18.1464 ± 0.0004 Å |
| b | 28.9479 ± 0.0007 Å |
| c | 16.427 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8629.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0895 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.2211 |
| Weighted residual factors for all reflections included in the refinement | 0.234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281275 (current) | 2023-03-03 | cif/ Adding structures of 7712503 via cif-deposit CGI script. |
7712503.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.