Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7035633
Preview
| Coordinates | 7035633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H80 Al N2 Na O3 |
|---|---|
| Calculated formula | C61 H80 Al N2 Na O3 |
| SMILES | [Al]12([C](#Cc3ccc(cc3)C)[Na]3([O](C)CC[O]3C)([O]3CCCC3)[C]2#Cc2ccc(cc2)C)N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1 |
| Title of publication | Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes. |
| Authors of publication | Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 30 |
| Pages of publication | 13671 - 13680 |
| a | 17.619 ± 0.004 Å |
| b | 15.448 ± 0.003 Å |
| c | 21.942 ± 0.005 Å |
| α | 90° |
| β | 110.058 ± 0.003° |
| γ | 90° |
| Cell volume | 5610 ± 2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0901 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035633.cif |
| 153134 | 2015-08-08 | cif/ Updating files of 7035630, 7035631, 7035632, 7035633, 7035634, 7035635, 7035636, 7035637, 7035638, 7035639, 7035640, 7035641, 7035642 Original log message: Adding full bibliography for 7035630--7035642.cif. |
7035633.cif |
| 140552 | 2015-07-07 | cif/ Adding structures of 7035630, 7035631, 7035632, 7035633, 7035634, 7035635, 7035636, 7035637, 7035638, 7035639, 7035640, 7035641, 7035642 via cif-deposit CGI script. |
7035633.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.