Information card for entry 7059077

Structure parameters

• Formula: C19 H17 Cl2 Mn N3 O2
• Calculated formula: C19 H17 Cl2 Mn N3 O2
• Title of publication: Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach
• Authors of publication: I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1371 - 1388
• a: 11.345 ± 0.003 Å
• b: 13.87 ± 0.004 Å
• c: 12.108 ± 0.003 Å
• α: 90°
• β: 102.824 ± 0.007°
• γ: 90°
• Cell volume: 1857.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No