Information card for entry 7064253

Structure parameters

• Formula: C15 H17 Cl2 Mn N3
• Calculated formula: C15 H17 Cl2 Mn N3
• Title of publication: Manganese(II) complexes of tridentate 3N ligands as functional models of phenoxazinone synthase: Impact of ligand steric hindrance on reactivity
• Authors of publication: Palani, Narasimman; Karuppasamy, Gopalsamy; Bhuvanesh, Nattamai S. P.; Ajaykamal, Tamilarasan; Maurin, Guillaume; Sundaravel, Karuppasamy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 7.6216 ± 0.0004 Å
• b: 8.6279 ± 0.0005 Å
• c: 14.0599 ± 0.0007 Å
• α: 97.04 ± 0.002°
• β: 101.032 ± 0.002°
• γ: 114.334 ± 0.002°
• Cell volume: 805.61 ± 0.08 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0256
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No