Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4511586
Preview
Coordinates | 4511586.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-Iodophenylboronic acid-4,7-phenanthroline complex |
---|---|
Formula | C24 H20 B2 I2 N2 O4 |
Calculated formula | C24 H20 B2 I2 N2 O4 |
SMILES | n1cccc2c1ccc1ncccc21.Ic1ccc(cc1)B(O)O.Ic1ccc(cc1)B(O)O |
Title of publication | Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape |
Authors of publication | SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 8 |
Pages of publication | 4143 |
a | 7.202 ± 0.002 Å |
b | 34.347 ± 0.008 Å |
c | 21.339 ± 0.005 Å |
α | 90° |
β | 105.66 ± 0.008° |
γ | 90° |
Cell volume | 5083 ± 2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0749 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1002 |
Weighted residual factors for all reflections included in the refinement | 0.1172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/4511586.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.