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Information card for entry 4341942
Preview
| Coordinates | 4341942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H34 Al2 F12 N4 O8 |
|---|---|
| Calculated formula | C38 H34 Al2 F12 N4 O8 |
| SMILES | c12C=C(C(F)(F)F)O[Al]34([n]1cccc2)([OH][Al]12([n]5c(cccc5)C=C(O1)C(F)(F)F)([n]1ccccc1C=C(O2)C(F)(F)F)[OH]4)[n]1ccccc1C=C(C(F)(F)F)O3.O=C(C)C.O=C(C)C |
| 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 | 22.9628 ± 0.0017 Å |
| b | 14.275 ± 0.0007 Å |
| c | 14.107 ± 0.0009 Å |
| α | 90° |
| β | 107.697 ± 0.005° |
| γ | 90° |
| Cell volume | 4405.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1472 |
| Residual factor for significantly intense reflections | 0.0935 |
| Weighted residual factors for significantly intense reflections | 0.1861 |
| Weighted residual factors for all reflections included in the refinement | 0.201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.626 |
| 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. |
4341942.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. |
4341942.cif |
| 128900 | 2014-12-21 | cif/ Adding structures of 4341940, 4341941, 4341942, 4341943, 4341944, 4341945 via cif-deposit CGI script. |
4341942.cif |
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Users of the data should acknowledge the original authors of the
structural data.