Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7238091
Preview
| Coordinates | 7238091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H21 I7 N3 O4 Pb2 |
|---|---|
| Calculated formula | C9 H18 I7 N3 O4 Pb2 |
| Title of publication | (HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets |
| Authors of publication | Mercier, Nicolas |
| Journal of publication | CrystEngComm |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 70 |
| Pages of publication | 429 |
| a | 9.1196 ± 0.0005 Å |
| b | 37.326 ± 0.001 Å |
| c | 8.8987 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3029.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | C 2 e b |
| Hall space group symbol | C -2ac 2 |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0627 |
| Weighted residual factors for all reflections included in the refinement | 0.0683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244064 (current) | 2019-11-28 | cif/ Adding structures of 7238091, 7238092 via cif-deposit CGI script. |
7238091.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.