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Information card for entry 7035630
Preview
| Coordinates | 7035630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H97 Al2 N4 Na O |
|---|---|
| Calculated formula | C69 H97 Al2 N4 Na O |
| SMILES | [Al]1([Al]2N(C(=C(N2c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)(N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C#Cc1ccc(cc1)C.[Na][O](CC)C |
| 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 | 14.51 ± 0.002 Å |
| b | 19.288 ± 0.003 Å |
| c | 24.629 ± 0.004 Å |
| α | 90° |
| β | 101.942 ± 0.002° |
| γ | 90° |
| Cell volume | 6743.7 ± 1.8 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 | 0.1969 |
| Residual factor for significantly intense reflections | 0.0811 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| 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. |
7035630.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. |
7035630.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. |
7035630.cif |
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Users of the data should acknowledge the original authors of the
structural data.