Information card for entry 1577428

Structure parameters

• Formula: C78 H118 Mn2 N4 O4
• Calculated formula: C78 H118 Mn2 N4 O4
• Title of publication: Visible-Light-Driven Ruthenium-Catalyzed Hydrogenation of Manganese Nitride Complexes to Ammonia under Ambient Conditions
• Authors of publication: Yamazaki, Yasuomi; Wang, Qiubo; Tanabe, Yoshiaki; Nishibayashi, Yoshiaki
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 14.5819 ± 0.0006 Å
• b: 15.3597 ± 0.0007 Å
• c: 17.0815 ± 0.0006 Å
• α: 78.09 ± 0.003°
• β: 79.223 ± 0.003°
• γ: 86.702 ± 0.003°
• Cell volume: 3676.7 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.1105
• Weighted residual factors for significantly intense reflections: 0.2478
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No