Information card for entry 7059420

Structure parameters

• Formula: C11 H25 Cl3 Cu N3 Na3 O17
• Calculated formula: C11 H25 Cl3 Cu N3 Na3 O17
• Title of publication: Synthesis and spectroscopic characterization of ternary copper(ii) complexes containing nitrogen and oxygen donors as functional mimics of catechol oxidase and phenoxazinone synthase
• Authors of publication: Ramadan, Abd El-Motaleb M.; Shaban, Shaban Y.; Ibrahim, Mohamed M.; Abdel-Rahman, Adel A.-H.; Sallam, Shehab A.; Al-Harbi, Sami A.; Omar, Walid
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 6331 - 6345
• a: 8.355 ± 0.0017 Å
• b: 19.633 ± 0.0039 Å
• c: 30.829 ± 0.0062 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5057 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No