Information card for entry 1571034

Structure parameters

• Formula: C68 H53 Al B2 F36 Mo N11 O4
• Calculated formula: C68 H53 Al B2 F36 Mo N11 O4
• Title of publication: Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.
• Authors of publication: Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 5152 - 5162
• a: 14.9038 ± 0.0003 Å
• b: 17.3373 ± 0.0004 Å
• c: 17.7556 ± 0.0004 Å
• α: 61.896 ± 0.001°
• β: 75.415 ± 0.001°
• γ: 80.14 ± 0.002°
• Cell volume: 3909.1 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No