Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572679
Preview
| Coordinates | 1572679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ACM-AR-05 |
|---|---|
| Formula | C28 H13 B F10 O2 S |
| Calculated formula | C28 H13 B F10 O2 S |
| Title of publication | O,S-Chelated bis(pentafluorophenyl)boron and diphenylboron-β-thioketonates: synthesis, photophysical, electrochemical and NLO properties. |
| Authors of publication | Murali, Anna Chandrasekar; Panda, Rudrashish; Kannan, Ramkumar; Das, Ritwick; Venkatasubbaiah, Krishnan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 42 |
| Pages of publication | 17263 - 17271 |
| a | 8.882 ± 0.0001 Å |
| b | 11.7045 ± 0.0002 Å |
| c | 14.6627 ± 0.0003 Å |
| α | 71.659 ± 0.002° |
| β | 81.232 ± 0.001° |
| γ | 76.372 ± 0.001° |
| Cell volume | 1401.08 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296534 (current) | 2024-12-06 | cif/ Updating files of 1572679, 1572680, 1572681, 1572682, 1572683 Original log message: Adding full bibliography for 1572679--1572683.cif. |
1572679.cif |
| 294871 | 2024-09-25 | cif/ Adding structures of 1572679, 1572680, 1572681, 1572682, 1572683 via cif-deposit CGI script. |
1572679.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.