Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1562563
Preview
Coordinates | 1562563.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H14 Cl6 Cu0.83 In0.17 N2 |
---|---|
Calculated formula | C12 H14 Cl6 Cu0.833 In0.167 N2 |
Title of publication | Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption |
Authors of publication | Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I. |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 16.441 ± 0.0008 Å |
b | 7.5928 ± 0.0004 Å |
c | 7.313 ± 0.0004 Å |
α | 90° |
β | 102.684 ± 0.002° |
γ | 90° |
Cell volume | 890.63 ± 0.08 Å3 |
Cell temperature | 300 K |
Ambient diffraction temperature | 300 K |
Number of distinct elements | 6 |
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 | 0.0503 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.1244 |
Weighted residual factors for all reflections included in the refinement | 0.125 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 0.7288 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
265230 (current) | 2021-05-15 | cif/ Adding structures of 1562560, 1562561, 1562562, 1562563 via cif-deposit CGI script. |
1562563.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.