Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4501353
Preview
Coordinates | 4501353.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32.5 H22.5 N4.5 Ni O4.5 S2 |
---|---|
Calculated formula | C32.5 H22.5 N4.5 Ni O4.5 S2 |
Title of publication | Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty |
Authors of publication | Sekiya, Ryo; Nishikiori, Shin-ichi |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 12 |
Pages of publication | 5574 |
a | 8.0561 ± 0.0014 Å |
b | 10.532 ± 0.003 Å |
c | 25.053 ± 0.004 Å |
α | 89.246 ± 0.008° |
β | 46.529 ± 0.009° |
γ | 104.237 ± 0.009° |
Cell volume | 1444.1 ± 0.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1353 |
Residual factor for significantly intense reflections | 0.0579 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1153 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
Diffraction radiation probe | x-ray |
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/4501353.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.