Information card for entry 7011166

Structure parameters

• Formula: C55 H73 N2 O2 Si Y
• Calculated formula: C55 H73 N2 O2 Si Y
• SMILES: [Y]12(Oc3c(C=[N]1c1c(cccc1C(C)C)C(C)C)cccc3C(C)(C)C)(Oc1c(C=[N]2c2c(cccc2C(C)C)C(C)C)cccc1C(C)(C)C)C[Si](C)(C)c1ccccc1
• Title of publication: Organo-scandium and -yttrium complexes supported by a salicylaldiminato ligand
• Authors of publication: David J. H. Emslie; Warren E. Piers; Robert MacDonald
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 293 - 294
• a: 24.4752 ± 0.0014 Å
• b: 10.0224 ± 0.0005 Å
• c: 23.257 ± 0.0013 Å
• α: 90°
• β: 115.707 ± 0.001°
• γ: 90°
• Cell volume: 5140.3 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.052
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No