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Information card for entry 4074702
Preview
| Coordinates | 4074702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1,1-bis[N-methyl-(2-oxy-4-methoxybenzophenone)iminato]- 2,5-diphenyl-2,5-diazasilolidine |
|---|---|
| Formula | C44 H42 N4 O4 Si |
| Calculated formula | C44 H42 N4 O4 Si |
| SMILES | [Si]123(Oc4cc(OC)ccc4C(=[N]1C)c1ccccc1)(Oc1cc(OC)ccc1C(=[N]2C)c1ccccc1)N(c1ccccc1)CCN3c1ccccc1 |
| Title of publication | Intramolecular Interligand Charge Transfer in Hexacoordinate Silicon Complexes |
| Authors of publication | Wagler, Jörg; Gerlach, Daniela; Böhme, Uwe; Roewer, Gerhard |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 12 |
| Pages of publication | 2929 |
| a | 17.669 ± 0.005 Å |
| b | 20.229 ± 0.006 Å |
| c | 21.957 ± 0.007 Å |
| α | 90° |
| β | 111.092 ± 0.012° |
| γ | 90° |
| Cell volume | 7322 ± 4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0748 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4074702.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4074702.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074702.cif |
| 48680 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074701, 4074702 via cif-deposit CGI script. |
4074702.cif |
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