Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2208885
Preview
Coordinates | 2208885.cif |
---|---|
Structure factors | 2208885.hkl |
Original IUCr paper | HTML |
Chemical name | (η^3^-Allyl)bromo(η^5^-cyclopentadienyl)(phenylaminodiphenylphosphine- κP)ruthenium(IV) hexafluorophosphate |
---|---|
Formula | C26 H26 Br F6 N P2 Ru |
Calculated formula | C26 H26 Br F6 N P2 Ru |
SMILES | [Ru]123456(Br)([P](Nc7ccccc7)(c7ccccc7)c7ccccc7)([cH]7[cH]4[cH]3[cH]2[cH]17)[CH2]=[CH]5C6.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | (η^3^-Allyl)bromo(η^5^-cyclopentadienyl)(phenylaminodiphenylphosphine-κ<i>P</i>)ruthenium(IV) hexafluorophosphate |
Authors of publication | Pavlik, Sonja; Kirchner, Karl; Mereiter, Kurt |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 5 |
Pages of publication | m1051 - m1053 |
a | 15.384 ± 0.002 Å |
b | 17.603 ± 0.002 Å |
c | 19.469 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5272.3 ± 1.1 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0401 |
Residual factor for significantly intense reflections | 0.0234 |
Weighted residual factors for significantly intense reflections | 0.0493 |
Weighted residual factors for all reflections included in the refinement | 0.0558 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2208885.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.