Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1507222
Preview
Coordinates | 1507222.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26.553 H26 Cd3 Cl1.447 N8.553 O3 |
---|---|
Calculated formula | C26.553 H26 Cd3 Cl1.447 N8.553 O3 |
Title of publication | Crystal Structure and Spectroscopic Properties of the CT Complex of Methyl Viologen Dication ando-Dimethoxybenzene Included in a Polycyano−Polycadmate Host and Electrostatic Effects on Its CT Absorption |
Authors of publication | Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Ishida, Toshimasa |
Journal of publication | The Journal of Physical Chemistry B |
Year of publication | 2003 |
Journal volume | 107 |
Journal issue | 35 |
Pages of publication | 9261 |
a | 15.475 ± 0.0002 Å |
b | 8.8408 ± 0.0001 Å |
c | 25.0585 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3428.29 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.072 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0733 |
Weighted residual factors for all reflections included in the refinement | 0.1075 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.881 |
Diffraction radiation wavelength | 0.71069 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/1507222.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.