Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4325078
Preview
Coordinates | 4325078.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H56 Br2 N8 Ni2 O4 P2 |
---|---|
Calculated formula | C58 H56 Br2 N8 Ni2 O4 P2 |
SMILES | c1(cc(cc(c1P1=[O][Ni]23(OP(c4c(cc(cc4C)C)C)=[O][Ni]45(O1)([n]1c(cccc1)c1cccc[n]41)[n]1c(cccc1)c1cccc[n]51)([n]1c(cccc1)c1cccc[n]21)[n]1c(cccc1)c1cccc[n]31)C)C)C.[Br-].[Br-] |
Title of publication | New Dinuclear Nickel(II) Complexes: Synthesis, Structure, Electrochemical, and Magnetic Properties |
Authors of publication | Dmitry Yakhvarov; Ekaterina Trofimova; Oleg Sinyashin; Olga Kataeva; Yulia Budnikova; Peter Lönnecke; Evamarie Hey-Hawkins; Andreas Petr; Yulia Krupskaya; Vladislav Kataev; Rüdiger Klingeler; Bernd Büchner |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4553 - 4558 |
a | 11.908 ± 0.001 Å |
b | 15.051 ± 0.001 Å |
c | 16.906 ± 0.001 Å |
α | 90° |
β | 109.31 ± 0.01° |
γ | 90° |
Cell volume | 2859.6 ± 0.4 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0545 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0635 |
Weighted residual factors for all reflections included in the refinement | 0.0713 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 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/4325078.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.