Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2244195
Preview
Coordinates | 2244195.cif |
---|---|
Structure factors | 2244195.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[bis(3-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-1,3-thiocyanato] acetonitrile monosolvate] |
---|---|
Formula | C16 H17 N5 Ni S2 |
Calculated formula | C16 H17 N5 Ni S2 |
Title of publication | Synthesis, crystal structure and properties of <i>catena</i>-poly[[[bis(3-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-1,3-thiocyanato] acetonitrile monosolvate] |
Authors of publication | Näther, Christian; Jess, Inke; Krebs, Christoph |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2022 |
Journal volume | 78 |
Journal issue | 11 |
a | 18.2934 ± 0.0009 Å |
b | 11.7472 ± 0.0004 Å |
c | 9.7341 ± 0.0005 Å |
α | 90° |
β | 117.043 ± 0.006° |
γ | 90° |
Cell volume | 1863.11 ± 0.18 Å3 |
Cell temperature | 99.99 ± 0.1 K |
Ambient diffraction temperature | 99.99 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0242 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0657 |
Weighted residual factors for all reflections included in the refinement | 0.0658 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
278482 (current) | 2022-10-07 | cif/ hkl/ Adding structures of 2244195 via cif-deposit CGI script. |
2244195.cif 2244195.hkl |
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.