Information card for entry 4120883

Structure parameters

• Formula: C72 H102 Mo N6 O6 P2 Sc2
• Calculated formula: C72 H102 Mo N6 O6 P2 Sc2
• SMILES: [Sc]123(O[Sc]4([N](=C(C)C=C(N4CCN(C(C)C)C(C)C)C)c4c(cccc4C(C)C)C(C)C)C4=[P]([Mo]([P](=C4O3)c3c(cccc3C)C)(C#[O])(C#[O])(C#[O])C#[O])c3c(cccc3C)C)[N](=C(C)C=C(N1CC[N]2(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: 14.245 ± 0.002 Å
• b: 23.168 ± 0.003 Å
• c: 26.529 ± 0.004 Å
• α: 90°
• β: 103.391 ± 0.002°
• γ: 90°
• Cell volume: 8517 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• 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: 0.0922
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No