Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4319540
Preview
Coordinates | 4319540.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H20 Cr2 N4 O7 Zn |
---|---|
Calculated formula | C20 H20 Cr2 N4 O7 Zn |
SMILES | [Zn](O[Cr](=O)(=O)O[Cr](=O)(=O)=O)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1 |
Title of publication | Polar Compounds Constructed with the [Cr2O7]2- Anion |
Authors of publication | Alexander J. Norquist; Kevin R. Heier; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 2015 - 2019 |
a | 16.503 ± 0.001 Å |
b | 16.005 ± 0.001 Å |
c | 8.813 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2327.8 ± 0.2 Å3 |
Cell temperature | 296.2 K |
Ambient diffraction temperature | 296.2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0389 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for all reflections | 0.032 |
Weighted residual factors for all reflections included in the refinement | 0.032 |
Goodness-of-fit parameter for all reflections | 1.555 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.55 |
Diffraction radiation wavelength | 0.7107 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/4319540.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.