Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4309311
Preview
| Coordinates | 4309311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H126 Al9 N3 |
|---|---|
| Calculated formula | C63 H126 Al9 N3 |
| SMILES | [AlH]12345[AlH]6789[AlH]%10%11%12%13[AlH]%14%151([Al]1%16%17%18([AlH]%19%202([AlH]2%216([AlH]%101([C]%12%15%17CC(C)(C)C)([C]9%132CC(C)(C)C)[C]%18%20%21CC(C)(C)C)[C]48%19CC(C)(C)C)[C]5%14%16CC(C)(C)C)[N](C)(C)C)[C]37%11CC(C)(C)C.[AlH]([N](C)(C)C)([N](C)(C)C)CCCC.Cc1ccccc1.Cc1ccccc1 |
| Title of publication | Aluminum Hydride Cations Stabilized by Weakly Coordinating Carbaalanates |
| Authors of publication | Andreas Stasch; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 5854 - 5857 |
| a | 11.9773 ± 0.0011 Å |
| b | 18.527 ± 0.003 Å |
| c | 33.662 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7469.7 ± 1.6 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179131 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/93. |
4309311.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309311.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309311.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309311.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.