Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7218051
Preview
Coordinates | 7218051.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,5-dimethyl-3-(p-ethynylphenyl)-6-oxoverdazyl |
---|---|
Formula | C12 H11 N4 O |
Calculated formula | C12 H11 N4 O |
Title of publication | Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals |
Authors of publication | Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 42 |
Pages of publication | 9783 |
a | 4.0513 ± 0.0009 Å |
b | 11.154 ± 0.002 Å |
c | 12.902 ± 0.003 Å |
α | 104.617 ± 0.011° |
β | 94.207 ± 0.011° |
γ | 94.195 ± 0.012° |
Cell volume | 560.1 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0959 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1406 |
Weighted residual factors for all reflections included in the refinement | 0.1663 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180511 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/80. |
7218051.cif |
126374 | 2014-11-06 | cif/ Updating files of 7218051, 7218052, 7218053 Original log message: Adding full bibliography for 7218051--7218053.cif. |
7218051.cif |
123653 | 2014-09-10 | cif/ Adding structures of 7218051, 7218052, 7218053 via cif-deposit CGI script. |
7218051.cif |
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.