Information card for entry 7134648

Structure parameters

• Common name: DS-Mo1
• Chemical name: Mo(CO)3(MeCN)(P2N2)
• Formula: C29 H39 Mo N3 O3 P2
• Calculated formula: C29 H39 Mo N3 O3 P2
• Title of publication: Catalytic NH₃ oxidation to N₂ by hydrogen atom abstraction using a low-valent molybdenum complex.
• Authors of publication: Benedict, Rory J.; Heiden, Zachariah M.; Stephens, David N.; Arulsamy, Navamoney; Mock, Michael T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 56
• Pages of publication: 10315 - 10318
• a: 12.2585 ± 0.0015 Å
• b: 21.027 ± 0.003 Å
• c: 11.8947 ± 0.0014 Å
• α: 90°
• β: 102.628 ± 0.004°
• γ: 90°
• Cell volume: 2991.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No