Information card for entry 7059737

Structure parameters

• Formula: C14 H12 Cl2 Cu N4
• Calculated formula: C14 H12 Cl2 Cu N4
• Title of publication: Aerobic oxidation of 2-aminophenol catalysed by a series of mononuclear copper(ii) complexes: phenoxazinone synthase-like activity and mechanistic study
• Authors of publication: Podder, Nirmalya; Mandal, Sukanta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 12793 - 12805
• a: 6.7255 ± 0.0019 Å
• b: 23.788 ± 0.007 Å
• c: 9.162 ± 0.003 Å
• α: 90°
• β: 102.396 ± 0.01°
• γ: 90°
• Cell volume: 1431.6 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.173
• 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: No
• Has Fobs: No