Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102647
Preview
| Coordinates | 8102647.cif |
|---|
| Chemical name | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl) -propan-2-ol (HFlu) and 5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2- imidazolin-2-yl) nicotinic acid (IMaz) -manganese(II) [Mn(IMaz)~2~(HFlu)~2~] |
|---|---|
| Formula | C56 H64 F4 Mn N18 O8 |
| Calculated formula | C56 H60 F4 Mn N18 O8 |
| Title of publication | Crystal structure of bis[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol]-bis[5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)- nicotinato]manganese(II), Mn(C13H12F2N6O)2(C15H18N3O3)2 |
| Authors of publication | Yue Zhuang; Xian-Hong Yin; Peng-Fei Li; Shan-Shan Zhang; Fei-Long Hu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 1 |
| Pages of publication | 213 |
| a | 9.745 ± 0.0006 Å |
| b | 11.2747 ± 0.0006 Å |
| c | 15.2325 ± 0.0008 Å |
| α | 79.072 ± 0.004° |
| β | 78.248 ± 0.004° |
| γ | 65.073 ± 0.003° |
| Cell volume | 1475.73 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0641 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.1389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102647.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102647.cif |
| 13386 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102647 via cif-deposit CGI script. |
8102647.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.