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Information card for entry 4341941
Preview
| Coordinates | 4341941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H38 Al2 F12 N4 O12 |
|---|---|
| Calculated formula | C48 H38 Al2 F12 N4 O12 |
| SMILES | c12ccccc1oc1C=C(O[Al]34([n]21)([OH][Al]12([n]5c6ccccc6oc5C=C(O1)C(F)(F)F)([n]1c5ccccc5oc1C=C(O2)C(F)(F)F)[OH]3)[n]1c2ccccc2oc1C=C(O4)C(F)(F)F)C(F)(F)F.O=C(C)CC.O=C(C)CC |
| 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 | 15.979 ± 0.0005 Å |
| b | 13.8817 ± 0.0006 Å |
| c | 22.4336 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4976.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.1618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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. |
4341941.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. |
4341941.cif |
| 128900 | 2014-12-21 | cif/ Adding structures of 4341940, 4341941, 4341942, 4341943, 4341944, 4341945 via cif-deposit CGI script. |
4341941.cif |
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Users of the data should acknowledge the original authors of the
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