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Information card for entry 4073739
Preview
| Coordinates | 4073739.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H66 Cl4 N2 P2 Sc2 |
|---|---|
| Calculated formula | C38 H58 Cl4 N2 P2 Sc2 |
| SMILES | [c]12([c]3([c]4([c]5([p]1[Sc]12345(Cl)([Cl][Sc]2345([c]6([c]4([c]5([c]3([p]26)C(C)(C)C)C)C)C(C)(C)C)([n]2ccccc2)(Cl)[Cl]1)[n]1ccccc1)C(C)(C)C)C)C)C(C)(C)C |
| Title of publication | Synthesis, Characterization, and Reactivity of Mono(phospholyl)lanthanoid(III) Bis(dimethylaminobenzyl) Complexes |
| Authors of publication | Jaroschik, Florian; Shima, Takanori; Li, Xiaofang; Mori, Kyouichi; Ricard, Louis; Le Goff, Xavier-Frédéric; Nief, François; Hou, Zhaomin |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 23 |
| Pages of publication | 5654 |
| a | 13.808 ± 0.001 Å |
| b | 15.315 ± 0.001 Å |
| c | 11.507 ± 0.001 Å |
| α | 90° |
| β | 107.981 ± 0.001° |
| γ | 90° |
| Cell volume | 2314.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0466 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178626 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/37. |
4073739.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073739.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073739.cif |
| 46517 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073734, 4073735, 4073736, 4073737, 4073738, 4073739 via cif-deposit CGI script. |
4073739.cif |
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Users of the data should acknowledge the original authors of the
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