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Information card for entry 7035632
Preview
| Coordinates | 7035632.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H66 Al N2 Na O2 |
|---|---|
| Calculated formula | C52 H66 Al N2 Na O2 |
| SMILES | [Al]12([C](#Cc3ccccc3)[Na]([O]3CCCC3)([O]3CCCC3)([C]2#Cc2ccccc2))N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)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 | 15.589 ± 0.008 Å |
| b | 15.119 ± 0.008 Å |
| c | 23 ± 0.012 Å |
| α | 90° |
| β | 107.223 ± 0.007° |
| γ | 90° |
| Cell volume | 5178 ± 5 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 | 0.1772 |
| Residual factor for significantly intense reflections | 0.0849 |
| Weighted residual factors for significantly intense reflections | 0.1607 |
| Weighted residual factors for all reflections included in the refinement | 0.1811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
7035632.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. |
7035632.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. |
7035632.cif |
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Users of the data should acknowledge the original authors of the
structural data.