Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4341940
Preview
| Coordinates | 4341940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 Al F9 N3 O6 |
|---|---|
| Calculated formula | C24 H21 Al F9 N3 O6 |
| SMILES | [Al]123(OC(=Cc4oc(c([n]14)C)C)C(F)(F)F)(OC(=Cc1oc(c([n]21)C)C)C(F)(F)F)OC(=Cc1oc(c([n]31)C)C)C(F)(F)F |
| Title of publication | Ligand-Modulated Chemical and Structural Implications in Four-, Five-, and Six-fold Coordinated Aluminum Heteroaryl Alkenolates. |
| Authors of publication | Czympiel, Lisa; Pfrommer, Johannes; Tyrra, Wieland; Schäfer, Mathias; Mathur, Sanjay |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 25 - 37 |
| a | 16.9876 ± 0.0004 Å |
| b | 17.7901 ± 0.0006 Å |
| c | 18.8103 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5684.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0734 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1634 |
| Weighted residual factors for all reflections included in the refinement | 0.1816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179522 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/19. |
4341940.cif |
| 130579 | 2015-02-04 | cif/ Updating files of 4341940, 4341941, 4341942, 4341943, 4341944, 4341945 Original log message: Adding full bibliography for 4341940--4341945.cif. |
4341940.cif |
| 128900 | 2014-12-21 | cif/ Adding structures of 4341940, 4341941, 4341942, 4341943, 4341944, 4341945 via cif-deposit CGI script. |
4341940.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.