Information card for entry 4060032

Structure parameters

• Chemical name: [Sc2{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2Me2)}2}2Cl2] . 2(CH2Cl2)
• Formula: C50 H56 Cl6 N4 O4 Sc2
• Calculated formula: C50 H56 Cl6 N4 O4 Sc2
• Title of publication: Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives
• Authors of publication: Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 309 - 330
• a: 11.7034 ± 0.0001 Å
• b: 12.0006 ± 0.0001 Å
• c: 18.5464 ± 0.0002 Å
• α: 89.9518 ± 0.0006°
• β: 84.0259 ± 0.0006°
• γ: 88.0933 ± 0.0005°
• Cell volume: 2589.21 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0799
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No