Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7701877
Preview
Coordinates | 7701877.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H14 Cl2 Cu N2 O2 |
---|---|
Calculated formula | C14 H14 Cl2 Cu N2 O2 |
Title of publication | Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties |
Authors of publication | Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel |
Journal of publication | Dalton Transactions |
Year of publication | 2019 |
a | 7.5026 ± 0.0008 Å |
b | 7.5541 ± 0.0009 Å |
c | 8.0228 ± 0.001 Å |
α | 98.797 ± 0.01° |
β | 110.504 ± 0.011° |
γ | 109.976 ± 0.01° |
Cell volume | 380.59 ± 0.1 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297.15 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0476 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0733 |
Weighted residual factors for all reflections included in the refinement | 0.0792 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/7701877.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.