Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7130763
Preview

Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7130763.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H36 N6 O Zr |
---|---|
Calculated formula | C38 H36 N6 O Zr |
SMILES | [Zr]123(n4cccc4c4[n]1cccc4)(n1cccc1c1[n]2cccc1)(n1cccc1c1[n]3cccc1)Cc1ccccc1.O1CCCC1 |
Title of publication | Long-lived Photoluminescence from an Eight-Coordinate Zirconium(IV) Complex with Four 2-(2’-Pyridyl)pyrrolide Ligands |
Authors of publication | Leary, Dylan C.; Martinez, Jordan C.; Ahkmedov, Novruz G.; Petersen, Jeffrey L.; Milsmann, Carsten |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 14.9235 ± 0.0018 Å |
b | 14.2433 ± 0.0016 Å |
c | 14.793 ± 0.002 Å |
α | 90° |
β | 90.565 ± 0.005° |
γ | 90° |
Cell volume | 3144.2 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1329 |
Residual factor for significantly intense reflections | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.1382 |
Weighted residual factors for all reflections included in the refinement | 0.1678 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7130763.html
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.