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Information card for entry 4074702
Preview
Coordinates | 4074702.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,1-bis[N-methyl-(2-oxy-4-methoxybenzophenone)iminato]- 2,5-diphenyl-2,5-diazasilolidine |
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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 |
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