Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4327055
Preview
Coordinates | 4327055.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H28 Cr F3 N6 O4 S |
---|---|
Calculated formula | C29 H28 Cr F3 N6 O4 S |
Title of publication | Synthesis and Characterization of (smif)2Mn (n= 0, M = V, Cr, Mn, Fe, Co, Ni, Ru; n= +1, M = Cr, Mn, Co, Rh, Ir; smif =1,3-di-(2-pyridyl)-2-azaallyl) |
Authors of publication | Brenda A. Frazier; Erika R. Bartholomew; Peter T. Wolczanski; Serena DeBeer; Mitkél Santiago-Berrios; Hector D. Abruña; Emil B. Lobkovsky; Suzanne C. Bart; Susanne Mossin; Karsten Meyer; Thomas R. Cundari |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 12414 - 12436 |
a | 8.7769 ± 0.0004 Å |
b | 12.5575 ± 0.0006 Å |
c | 15.6932 ± 0.0007 Å |
α | 86.978 ± 0.003° |
β | 76.027 ± 0.003° |
γ | 80.361 ± 0.003° |
Cell volume | 1654.63 ± 0.13 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0677 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1208 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4327055.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.