Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4001098
Preview
| Coordinates | 4001098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H64 Al2 Ba O8 |
|---|---|
| Calculated formula | C48 H64 Al2 Ba O8 |
| SMILES | [Ba]123456([O]7C(Cc8cccc([O]1[Al]([O]3c1cccc3CC([O]2c13)(C)C)(CC)CC)c78)(C)C)[O]1C(Cc2cccc([O]4[Al]([O]6c3cccc4CC([O]5c34)(C)C)(CC)CC)c12)(C)C |
| Title of publication | Synthesis and Characterization of Mixed-Metal Aryloxo-Organometallic Precursors for Oxide‒Ceramic Materials |
| Authors of publication | John, Łukasz; Utko, Józef; Szafert, Sławomir; Jerzykiewicz, Lucjan B.; Kȩpiński, Leszek; Sobota, Piotr |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2008 |
| Journal volume | 20 |
| Journal issue | 13 |
| Pages of publication | 4231 - 4239 |
| a | 12.991 ± 0.003 Å |
| b | 18.174 ± 0.004 Å |
| c | 21.696 ± 0.004 Å |
| α | 67.58 ± 0.03° |
| β | 88.4 ± 0.03° |
| γ | 89.16 ± 0.03° |
| Cell volume | 4733 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218801 (current) | 2019-09-24 | cif/4/00/ Updated bibliographic information in entries 4001098-4001100, 4001984. |
4001098.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001098.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001098.cif |
| 102833 | 2014-02-24 | cif/4 Fixing several formula and Z values. |
4001098.cif |
| 41848 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4001098 via cif-deposit CGI script. |
4001098.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.