Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4349338
Preview
| Coordinates | 4349338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H15 N3 O7 Ti |
|---|---|
| Calculated formula | C15 H15 N3 O7 Ti |
| Title of publication | A Polar Titanium-Organic Chain with a Very Large Second-Harmonic-Generation Response. |
| Authors of publication | Kim, Bongsu; Oh, Seung-Jin; Jo, Hongil; Ok, Kang Min |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 22 |
| Pages of publication | 11635 - 11638 |
| a | 42.164 ± 0.009 Å |
| b | 20.815 ± 0.004 Å |
| c | 7.478 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6563 ± 2 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.1089 |
| Residual factor for significantly intense reflections | 0.0899 |
| Weighted residual factors for significantly intense reflections | 0.2548 |
| Weighted residual factors for all reflections included in the refinement | 0.2769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233869 (current) | 2019-11-23 | cif/ Adding structures of 4349338 via cif-deposit CGI script. |
4349338.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.