Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4312849
Preview
Coordinates | 4312849.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H53 B F4 O3 P5 Ru |
---|---|
Calculated formula | C53 H53 B F4 O3 P5 Ru |
SMILES | [Ru]12([P](c3ccccc3)(c3ccccc3)C[P]2(c2ccccc2)c2ccccc2)([P](OC)(OC)OC)[P](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-] |
Title of publication | Trans →Cis Isomerization of trans-[(dppm)2Ru(H)(L)][BF4] (L = P(OR)3) Complexes: Preparation of cis-[(dppm)2Ru(η2-H2)(L)][BF4]2 |
Authors of publication | Nisha Mathew; Balaji R. Jagirdar; Anupama Ranganathan |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 187 - 197 |
a | 9.7764 ± 0.0001 Å |
b | 15.0833 ± 0.0002 Å |
c | 20.723 ± 0.0001 Å |
α | 75.75° |
β | 76.102 ± 0.001° |
γ | 77.127 ± 0.001° |
Cell volume | 2831.26 ± 0.05 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0951 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for significantly intense reflections | 0.2032 |
Weighted residual factors for all reflections included in the refinement | 0.2269 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
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/4312849.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.