Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4512671
Preview
| Coordinates | 4512671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H29 N3 O2 Pd |
|---|---|
| Calculated formula | C37 H29 N3 O2 Pd |
| SMILES | [Pd]12(c3c(c4[n]1cccc4)cccc3)[N](=Cc1c(O2)ccc(OC)c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 |
| Title of publication | Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes. |
| Authors of publication | Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2015 |
| Journal volume | 7 |
| Journal issue | 7 |
| Pages of publication | 4019 - 4028 |
| a | 28.39 ± 0.002 Å |
| b | 6.4428 ± 0.0005 Å |
| c | 16.4436 ± 0.0013 Å |
| α | 90° |
| β | 90.821 ± 0.003° |
| γ | 90° |
| Cell volume | 3007.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179674 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/26. |
4512671.cif |
| 132745 | 2015-03-04 | cif/ Updating files of 4512671, 4512672, 4512673, 4512674, 4512675 Original log message: Adding full bibliography for 4512671--4512675.cif. |
4512671.cif |
| 131641 | 2015-02-11 | cif/ Adding structures of 4512671, 4512672, 4512673, 4512674, 4512675 via cif-deposit CGI script. |
4512671.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.