Information card for entry 4120888

Structure parameters

• Formula: C66 H102 N6 P2 Sc2 Te
• Calculated formula: C66 H102 N6 P2 Sc2 Te
• SMILES: [Sc]123([Te][Sc]45([P]2([P]15c1c(cccc1C)C)c1c(cccc1C)C)[N](=C(C)C=C(N4CCN(C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[N](=C(C)C=C(N3CCN(C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions
• Authors of publication: Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 14784 - 14796
• a: 22.915 ± 0.003 Å
• b: 18.525 ± 0.002 Å
• c: 19.32 ± 0.002 Å
• α: 90°
• β: 90.494 ± 0.002°
• γ: 90°
• Cell volume: 8201 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1093
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No