Information card for entry 7012269

Structure parameters

• Chemical name: [Sc2(N2_Tol_Npy)2(CH2SiMe3)2]
• Formula: C82 H104 N6 Sc2 Si2
• Calculated formula: C82 H104 N6 Sc2 Si2
• SMILES: c1cc(ccc1[N]12[Sc]3(C[Si](C)(C)C)([N]4(CC5(CN(c6ccc(cc6)C)[Sc]24([n]2c5cccc2)C[Si](C)(C)C)C)c2ccc(cc2)C)N(c2ccc(cc2)C)CC(C1)(C)c1cccc[n]31)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Scandium chloride, alkyl and phenyl complexes of diamido-donor ligands
• Authors of publication: Benjamin D. Ward; Stuart R. Dubberley; Aline Maisse-François; Lutz H. Gade; Philip Mountford
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4649 - 4657
• a: 10.7764 ± 0.0001 Å
• b: 15.7709 ± 0.0002 Å
• c: 22.4009 ± 0.0004 Å
• α: 90°
• β: 93.9372 ± 0.0005°
• γ: 90°
• Cell volume: 3798.13 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1314
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No