Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7035959
Preview
Coordinates | 7035959.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [1,1?-Bis(5-(phospholano)pentyl)ferrocene-κ2P,P?]gold(I) chloride |
---|---|
Formula | C28 H44 Au Cl Fe P2 |
Calculated formula | C28 H44 Au Cl Fe P2 |
SMILES | C1CCCC[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[c]9(CCCCC[P]4(CCCC4)[Au]([P]41CCCC4)Cl)[cH]8[cH]7[cH]23 |
Title of publication | Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands. |
Authors of publication | Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 43 |
Pages of publication | 18760 - 18768 |
a | 12.296 ± 0.005 Å |
b | 13.526 ± 0.005 Å |
c | 16.974 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 2823 ± 1.8 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0301 |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0603 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
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/7035959.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.