Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4001864
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4001864.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H24 N8 Ni |
---|---|
Calculated formula | C32 H16 N8 Ni |
SMILES | c1ccc2c(c1)c1N=c3c4ccccc4c4[n]3[Ni]35n1c2N=c1[n]3c(N=c2n5c(=N4)c3c2cccc3)c2c1cccc2 |
Title of publication | Charge Conduction Properties at the Contact Interface between (Phthalocyaninato)nickel(II) and Electron Acceptor Single Crystals |
Authors of publication | Takahashi, Yukihiro; Hayakawa, Kei; Takayama, Katsuya; Yokokura, Seiya; Harada, Jun; Hasegawa, Hiroyuki; Inabe, Tamotsu |
Journal of publication | Chemistry of Materials |
Year of publication | 2014 |
Journal volume | 26 |
Journal issue | 2 |
Pages of publication | 993 |
a | 14.752 ± 0.003 Å |
b | 4.7121 ± 0.001 Å |
c | 17.372 ± 0.003 Å |
α | 90° |
β | 104.402 ± 0.005° |
γ | 90° |
Cell volume | 1169.6 ± 0.4 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for all reflections included in the refinement | 0.0875 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.71075 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/4001864.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.