Information card for entry 1571030

Structure parameters

• Formula: C214.12 H164.64 Al2 B8 F72 Mo4 N39.27 O8
• Calculated formula: C214.164 H164.654 Al2 B8 F72 Mo4 N39.272 O8
• 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: 17.6807 ± 0.0012 Å
• b: 18.6634 ± 0.0011 Å
• c: 19.4278 ± 0.0011 Å
• α: 90.335 ± 0.004°
• β: 112.023 ± 0.004°
• γ: 100.578 ± 0.004°
• Cell volume: 5822.4 ± 0.6 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: 0.1431
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2662
• Weighted residual factors for all reflections included in the refinement: 0.317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No