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Information card for entry 4310553
Preview
| Coordinates | 4310553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | iPr-L-Xan-H2 |
|---|---|
| Formula | C29 H42 N4 O |
| Calculated formula | C29 H42 N4 O |
| SMILES | O1c2c(C(=N\C(C)C)/NC(C)C)cccc2C(C)(C)c2c1c(ccc2)/C(=N\C(C)C)NC(C)C |
| Title of publication | Synthesis and Characterization of Binucleating Bis(amidinate) Ligands and Their Dialuminum Complexes |
| Authors of publication | Bronya Clare; Niladri Sarker; Richard Shoemaker; John R. Hagadorn |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 1159 - 1166 |
| a | 10.272 ± 0.002 Å |
| b | 19.329 ± 0.004 Å |
| c | 13.991 ± 0.003 Å |
| α | 90° |
| β | 96.24 ± 0.03° |
| γ | 90° |
| Cell volume | 2761.4 ± 1 Å3 |
| Cell temperature | 134 ± 2 K |
| Ambient diffraction temperature | 134 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0832 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4310553.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4310553.cif |
| 179144 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/05. |
4310553.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310553.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310553.cif |
| 2041 | 2010-11-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4310553 via cif-deposit CGI script. |
4310553.cif |
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Users of the data should acknowledge the original authors of the
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