Information card for entry 7706289

Structure parameters

• Formula: C12 H16 Cl Cu N5 O
• Calculated formula: C12 H16 Cl Cu N5 O
• Title of publication: Structure and synthesis of copper-based Schiff base and reduced Schiff base complexes: a combined experimental and theoretical investigation of biomimetic catalytic activity.
• Authors of publication: Mandal, Arnab; Sarkar, Abani; Adhikary, Amit; Samanta, Debabrata; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15461 - 15472
• a: 13.1 ± 0.02 Å
• b: 8.63 ± 0.014 Å
• c: 13.62 ± 0.02 Å
• α: 90°
• β: 97.62 ± 0.04°
• γ: 90°
• Cell volume: 1526 ± 4 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290.29 K
• Number of distinct elements: 6
• 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: 0.1187
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No