Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4330698
Preview
Coordinates | 4330698.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Ni(SN3)-CN-FeCl].DMSO |
---|---|
Formula | C33 H40 Cl Fe N7 Ni O3 S2 |
Calculated formula | C33 H40 Cl Fe N7 Ni O3 S2 |
Title of publication | Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features |
Authors of publication | Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 11017 - 11029 |
a | 14.8812 ± 0.0014 Å |
b | 14.8236 ± 0.0014 Å |
c | 15.4676 ± 0.0015 Å |
α | 90° |
β | 93.701 ± 0.002° |
γ | 90° |
Cell volume | 3404.9 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0489 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.0973 |
Weighted residual factors for all reflections included in the refinement | 0.1026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/4330698.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.