Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7020287
Preview
Coordinates | 7020287.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H30 Er N5 O15 V |
---|---|
Calculated formula | C24 H30 Er N5 O15 V |
SMILES | [Er]123456([O]7[V]89([O]1c1c([O]3C)cccc1C=[N]9CC(C[N]8=Cc1c7c([O]2C)ccc1)(C)C)([O]=C(C)C)=O)([O]=N(=O)O4)(ON(=[O]5)=O)ON(=[O]6)=O |
Title of publication | Exchange coupling in TbCu and DyCu single-molecule magnets and related lanthanide and vanadium analogs. |
Authors of publication | Ishida, Takayuki; Watanabe, Ryo; Fujiwara, Kei; Okazawa, Atsushi; Kojima, Norimichi; Tanaka, Go; Yoshii, Shunsuke; Nojiri, Hiroyuki |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 44 |
Pages of publication | 13609 - 13619 |
a | 9.903 ± 0.003 Å |
b | 17.515 ± 0.004 Å |
c | 18.236 ± 0.008 Å |
α | 90° |
β | 105.452 ± 0.004° |
γ | 90° |
Cell volume | 3048.7 ± 1.8 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0221 |
Weighted residual factors for all reflections included in the refinement | 0.0292 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
Diffraction radiation wavelength | 0.7107 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/7020287.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.