Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7054699
Preview
| Coordinates | 7054699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H36 Cd N8 Ni O6 |
|---|---|
| Calculated formula | C16 H36 Cd N8 Ni O6 |
| SMILES | [Cd]123456([O](CC[NH2]5)CC[O]3CC[NH2]2)[O](CC[NH2]4)CC[O]1CC[NH2]6.[Ni](C#N)(C#N)(C#N)C#N.O.O |
| Title of publication | Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations |
| Authors of publication | Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 5 |
| Pages of publication | 3675 |
| a | 9.6656 ± 0.0004 Å |
| b | 14.9615 ± 0.0004 Å |
| c | 17.9211 ± 0.0005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2591.6 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0616 |
| Weighted residual factors for all reflections included in the refinement | 0.0644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180100 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/46. |
7054699.cif |
| 138805 | 2015-06-07 | cif/ Updating files of 7054696, 7054697, 7054698, 7054699 Original log message: Adding full bibliography for 7054696--7054699.cif. |
7054699.cif |
| 132115 | 2015-02-20 | cif/ Adding structures of 7054696, 7054697, 7054698, 7054699 via cif-deposit CGI script. |
7054699.cif |
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.