Information card for entry 4073739

Structure parameters

• Formula: C45 H66 Cl4 N2 P2 Sc2
• Calculated formula: C38 H58 Cl4 N2 P2 Sc2
• SMILES: [c]12([c]3([c]4([c]5([p]1[Sc]12345(Cl)([Cl][Sc]2345([c]6([c]4([c]5([c]3([p]26)C(C)(C)C)C)C)C(C)(C)C)([n]2ccccc2)(Cl)[Cl]1)[n]1ccccc1)C(C)(C)C)C)C)C(C)(C)C
• Title of publication: Synthesis, Characterization, and Reactivity of Mono(phospholyl)lanthanoid(III) Bis(dimethylaminobenzyl) Complexes
• Authors of publication: Jaroschik, Florian; Shima, Takanori; Li, Xiaofang; Mori, Kyouichi; Ricard, Louis; Le Goff, Xavier-Frédéric; Nief, François; Hou, Zhaomin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5654
• a: 13.808 ± 0.001 Å
• b: 15.315 ± 0.001 Å
• c: 11.507 ± 0.001 Å
• α: 90°
• β: 107.981 ± 0.001°
• γ: 90°
• Cell volume: 2314.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0466
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No