Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4068700
Preview
Coordinates | 4068700.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H51 Ir Ru2 |
---|---|
Calculated formula | C31 H51 Ir Ru2 |
SMILES | [Ir]1234567([Ru]89%10%11%12%13([H]6)([Ru]6%14%15%161([H]7)([H]%12)([H]%13)[c]1([c]%14([c]%15([c]%16([c]61C)C)C)C)C)[c]1([c]%10([c]%11([c]8([c]91C)C)C)C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)CC |
Title of publication | Heterometallic Trinuclear Polyhydrido Complexes Containing Ruthenium and a Group 9 Metal, [Cp*3Ru2M(μ3-H)(μ-H)3] (M = Ir or Rh; Cp* = η5-C5Me5): Synthesis, Structure, and Site Selectivity in Reactions with Phosphines |
Authors of publication | Shima, Takanori; Sugimura, Yumi; Suzuki, Hiroharu |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 3 |
Pages of publication | 871 |
a | 11.143 ± 0.007 Å |
b | 15.51 ± 0.005 Å |
c | 11.115 ± 0.005 Å |
α | 93.39 ± 0.04° |
β | 118.53 ± 0.04° |
γ | 69.23 ± 0.04° |
Cell volume | 1563.8 ± 1.6 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0481 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0782 |
Weighted residual factors for all reflections included in the refinement | 0.0854 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71069 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/4068700.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.