Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7042233
Preview
Coordinates | 7042233.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H23 Br0.69 Cl0.31 Ni O3 P2 |
---|---|
Calculated formula | C30 H23 Br0.686 Cl0.314 Ni O3 P2 |
Title of publication | Bifunctional colorimetric chemosensing of fluoride and cyanide ions by nickel-POCOP pincer receptors. |
Authors of publication | Salomón-Flores, María K; Bazany-Rodríguez, Iván J; Martínez-Otero, Diego; García-Eleno, Marco A; Guerra-García, Jorge J; Morales-Morales, David; Dorazco-González, Alejandro |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 15 |
Pages of publication | 4950 - 4959 |
a | 16.4872 ± 0.0004 Å |
b | 10.6284 ± 0.0002 Å |
c | 16.6583 ± 0.0004 Å |
α | 90° |
β | 118.313 ± 0.0008° |
γ | 90° |
Cell volume | 2569.87 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.038 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0675 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7042233.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.