Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065416
Preview
Coordinates | 4065416.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(3,3-dimethoxypropylbenzene)RuCl2]2 |
---|---|
Formula | C22 H32 Cl4 O4 Ru2 |
Calculated formula | C22 H32 Cl4 O4 Ru2 |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]6[c]1([Ru]123456(Cl)[Cl][Ru]23456([cH]7[cH]2[cH]3[cH]4[cH]5[c]67CCC(OC)OC)(Cl)[Cl]1)CCC(OC)OC |
Title of publication | Acetal-Functionalized RAPTA Complexes for Conjugation and Labeling |
Authors of publication | Tan, Yu Qian; Dyson, Paul J.; Ang, Wee Han |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5965 |
a | 13.0435 ± 0.0009 Å |
b | 10.3684 ± 0.0007 Å |
c | 9.7799 ± 0.0007 Å |
α | 90° |
β | 100.889 ± 0.002° |
γ | 90° |
Cell volume | 1298.82 ± 0.16 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0524 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0898 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4065416.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.