Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052824
Preview
Coordinates | 7052824.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | NA |
---|---|
Formula | C132 H138 N24 O33 Ru3 |
Calculated formula | C120 H90 N21 O12 Ru3 |
SMILES | c12cccc[n]2[Ru]234([n]5c1cc(cc5c1[n]2cccc1)c1ccc(OC)cc1)[n]1c(cccc1)c1[n]3c(cc(c1)c1c(C)c(c2cc3[n]5c(c2)c2[n](cccc2)[Ru]265([n]5c(cccc5)c5cc(cc([n]25)c2[n]6cccc2)c2ccc(OC)cc2)[n]2c3cccc2)c(c(c2cc3[n]5c(c2)c2[n](cccc2)[Ru]265([n]5c(cccc5)c5cc(cc([n]25)c2[n]6cccc2)c2ccc(OC)cc2)[n]2c3cccc2)c1C)C)c1[n]4cccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-] |
Title of publication | Shape-persistent, ruthenium(ii)- and iron(ii)-bisterpyridine metallodendrimers: synthesis, traveling-wave ion-mobility mass spectrometry, and photophysical properties |
Authors of publication | Wang, Jin-Liang; Li, Xiaopeng; Shreiner, Carol D.; Lu, Xiaocun; Moorefield, Charles N.; Tummalapalli, Sreedhar R.; Medvetz, Douglas A.; Panzner, Matthew J.; Fronczek, Frank R.; Wesdemiotis, Chrys; Newkome, George R. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2012 |
Journal volume | 36 |
Journal issue | 2 |
Pages of publication | 484 |
a | 31.823 ± 0.007 Å |
b | 31.823 ± 0.007 Å |
c | 21.495 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 18852 ± 7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 161 |
Hermann-Mauguin space group symbol | R 3 c :H |
Hall space group symbol | R 3 -2"c |
Residual factor for all reflections | 0.0797 |
Residual factor for significantly intense reflections | 0.0603 |
Weighted residual factors for significantly intense reflections | 0.1271 |
Weighted residual factors for all reflections included in the refinement | 0.135 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
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/7052824.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.