Information card for entry 7712602

Structure parameters

• Formula: C4.29 H4.29 B0.1 Mn0.1 N0.57 O0.29
• Calculated formula: C4.28571 H4.28571 B0.0952381 Mn0.0952381 N0.571429 O0.285714
• Title of publication: Exploring the Nitric Oxide Dioxygenation (NOD) Reactions of Manganese-peroxo Complexes
• Authors of publication: Das, Sandip; C S, Akshaya Keerthi; kulbir, Kulbir; Singh, Shivangi; Roy, Soumik; Singh, Raman; Ghosh, Somnath; Kumar, Pankaj
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.276 ± 0.0012 Å
• b: 14.8557 ± 0.0015 Å
• c: 25.6 ± 0.003 Å
• α: 89.775 ± 0.004°
• β: 84.127 ± 0.004°
• γ: 67.815 ± 0.004°
• Cell volume: 3947.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No