Information card for entry 4073735

Structure parameters

• Formula: C32 H48 N2 P Sc
• Calculated formula: C32 H48 N2 P Sc
• SMILES: [Sc]123456(P7[C]1(=[C]2([C]3(=[C]47C(C)(C)C)C)C)C(C)(C)C)([N](c1c(C5)cccc1)(C)C)[N](c1c(C6)cccc1)(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: 21.86 ± 0.001 Å
• b: 11.952 ± 0.001 Å
• c: 23.239 ± 0.001 Å
• α: 90°
• β: 96.43 ± 0.001°
• γ: 90°
• Cell volume: 6033.5 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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 all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No