Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4319640
Preview
Coordinates | 4319640.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H32 Cl F4 N9 O Ru2 |
---|---|
Calculated formula | C44 H32 Cl F4 N9 O Ru2 |
SMILES | [Ru]1234([Ru](N(c5[n]1cccc5)c1c(F)cccc1)(N(c1[n]2cccc1)c1c(F)cccc1)(N(c1[n]3cccc1)c1c(F)cccc1)([n]1ccccc1N4c1c(F)cccc1)N=O)Cl |
Title of publication | Syntheses, Structural Determination, and Electrochemistry of Ru2(Fap)4Cl and Ru2(Fap)4(NO)Cl |
Authors of publication | John L. Bear; Julien Wellhoff; Guy Royal; Eric Van Caemelbecke; Sonia Eapen; Karl M. Kadish |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 2282 - 2286 |
a | 10.0468 ± 0.0006 Å |
b | 18.8091 ± 0.001 Å |
c | 41.7615 ± 0.0023 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7891.7 ± 0.8 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0792 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for significantly intense reflections | 0.1055 |
Weighted residual factors for all reflections included in the refinement | 0.132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
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/4319640.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.