Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084689
Preview
Coordinates | 4084689.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H50 F6 Fe N4 O2 P2 Ru |
---|---|
Calculated formula | C38 H50 F6 Fe N4 O2 P2 Ru |
SMILES | CCC[N]1[Ru]23456([c]7([cH]2[cH]3[c]4([cH]5[cH]67)C)C(C)C)(Oc2c(C=1)ccc(c2)/C=C/[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[P]12CN3CN(C2)CN(C1)C3.O.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | First- and Second-Generation Heterometallic Dendrimers Containing Ferrocenyl‒Ruthenium(II)‒Arene Motifs: Synthesis, Structure, Electrochemistry, and Preliminary Cell Proliferation Studies |
Authors of publication | Govender, Preshendren; Lemmerhirt, Heidi; Hutton, Alan T.; Therrien, Bruno; Bednarski, Patrick J.; Smith, Gregory S. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 19 |
Pages of publication | 5535 |
a | 11.0255 ± 0.0008 Å |
b | 8.6471 ± 0.0005 Å |
c | 41.358 ± 0.003 Å |
α | 90° |
β | 98.991 ± 0.006° |
γ | 90° |
Cell volume | 3894.6 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
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 | 0.1888 |
Residual factor for significantly intense reflections | 0.0726 |
Weighted residual factors for significantly intense reflections | 0.1254 |
Weighted residual factors for all reflections included in the refinement | 0.1634 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.881 |
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/4084689.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.