Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243926
Preview
| Coordinates | 2243926.cif |
|---|---|
| Structure factors | 2243926.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[2-methoxy-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)ethanamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]manganese(II)} bis(tetraphenylborate) dichloromethane 1.45-solvate |
|---|---|
| Formula | C99.45 H94.9 B2 Cl2.9 Mn2 N6 O6 |
| Calculated formula | C99.452 H94.904 B2 Cl2.904 Mn2 N6 O6 |
| Title of publication | Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands |
| Authors of publication | Frey, Steven T.; Ballot, Jasper G.; Hands, Allison; Cirka, Haley A.; Rinaolo, Katheryn C.; Phalkun, Nich N.; Kaur, Manpreet; Jasinski, Jerry P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 10 |
| Pages of publication | 982 - 988 |
| a | 11.6553 ± 0.0005 Å |
| b | 13.6846 ± 0.0007 Å |
| c | 16.1109 ± 0.0006 Å |
| α | 96.842 ± 0.004° |
| β | 105.959 ± 0.003° |
| γ | 111.907 ± 0.004° |
| Cell volume | 2220.3 ± 0.2 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 | 0.0838 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271923 (current) | 2022-01-07 | cif/ Updating files of 2243926, 2243927 Original log message: Adding full bibliography for 2243926--2243927.cif. |
2243926.cif 2243926.hkl |
| 269361 | 2021-09-29 | cif/ hkl/ Adding structures of 2243926, 2243927 via cif-deposit CGI script. |
2243926.cif 2243926.hkl |
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.