Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4348627
Preview
| Coordinates | 4348627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C92 H61 Cl12 N8 Y |
|---|---|
| Calculated formula | C92 H61 Cl12 N8 Y |
| Title of publication | Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton. |
| Authors of publication | Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 17 |
| Pages of publication | 8935 - 8942 |
| a | 16.005 ± 0.003 Å |
| b | 16.98 ± 0.003 Å |
| c | 29.881 ± 0.006 Å |
| α | 90° |
| β | 91.48 ± 0.03° |
| γ | 90° |
| Cell volume | 8118 ± 3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1222 |
| Weighted residual factors for all reflections included in the refinement | 0.1337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
4348627.cif |
| 233203 | 2019-11-23 | cif/ Adding structures of 4348625, 4348626, 4348627, 4348628, 4348629, 4348630, 4348631, 4348632, 4348633, 4348634 via cif-deposit CGI script. |
4348627.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.