Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2017434
Preview
Coordinates | 2017434.cif |
---|---|
Structure factors | 2017434.hkl |
Original IUCr paper | HTML |
Chemical name | {1,1'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]di-2-naphtholato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) |
---|---|
Formula | C28 H18 N2 Ni O2 |
Calculated formula | C28 H18 N2 Ni O2 |
SMILES | [Ni]123[N](=Cc4c(O2)ccc2ccccc42)c2c([N]3=Cc3c(O1)ccc1ccccc31)cccc2 |
Title of publication | Interactions between dimers of {1,1'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]di-2-naphtholato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) |
Authors of publication | Blagus, Anita; Kaitner, Branko |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 12 |
Pages of publication | m455 - m458 |
a | 15.8669 ± 0.0003 Å |
b | 7.5765 ± 0.0001 Å |
c | 16.4065 ± 0.0002 Å |
α | 90° |
β | 97.9769 ± 0.0013° |
γ | 90° |
Cell volume | 1953.23 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0481 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.0942 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2017434.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.