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Information card for entry 7035631
Preview
| Coordinates | 7035631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H59 Al N2 O1.5 |
|---|---|
| Calculated formula | C43 H59 Al N2 O1.5 |
| SMILES | O1CCCC1.C1(=C(C)N([Al](N1c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)C#Cc1ccc(cc1)C)c1c(cccc1C(C)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 | 39.766 ± 0.01 Å |
| b | 16.373 ± 0.004 Å |
| c | 12.36 ± 0.003 Å |
| α | 90° |
| β | 95.498 ± 0.003° |
| γ | 90° |
| Cell volume | 8010 ± 3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1478 |
| Residual factor for significantly intense reflections | 0.0877 |
| Weighted residual factors for significantly intense reflections | 0.1734 |
| Weighted residual factors for all reflections included in the refinement | 0.1993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212870 (current) | 2019-01-06 | cif/7 Fixing some Z values and formulae |
7035631.cif |
| 176428 | 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. |
7035631.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. |
7035631.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. |
7035631.cif |
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Users of the data should acknowledge the original authors of the
structural data.