Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4516847
Preview
Coordinates | 4516847.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H36 Cl I N4 Ni O4 |
---|---|
Calculated formula | C40 H36 Cl I N4 Ni O4 |
SMILES | I[Ni]12([N]3(Cc4c(c5ccccc5C3)cccc4)Cc3[n]1cccc3)[N]1(Cc3c(c4ccccc4C1)cccc3)Cc1[n]2cccc1.Cl(=O)(=O)(=O)[O-] |
Title of publication | Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands. |
Authors of publication | Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N. |
Journal of publication | ACS omega |
Year of publication | 2017 |
Journal volume | 2 |
Journal issue | 6 |
Pages of publication | 2474 - 2481 |
a | 9.8216 ± 0.0005 Å |
b | 10.4129 ± 0.0005 Å |
c | 18.4809 ± 0.0009 Å |
α | 86.609 ± 0.003° |
β | 77.757 ± 0.003° |
γ | 82.462 ± 0.003° |
Cell volume | 1830.16 ± 0.16 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0923 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1385 |
Weighted residual factors for all reflections included in the refinement | 0.1608 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4516847.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.