Information card for entry 7047826

Structure parameters

• Formula: C54 H46 Cl4 Cu2 N6 O8
• Calculated formula: C54 H46 Cl4 Cu2 N6 O8
• Title of publication: Tuning the reactivity of copper complexes supported by tridentate ligands leading to two-electron reduction of dioxygen.
• Authors of publication: Suktanarak, Pattira; Watchasit, Sarayut; Chitchak, Kantima; Plainpan, Nukorn; Chainok, Kittipong; Vanalabhpatana, Parichatr; Pienpinijtham, Prompong; Suksai, Chomchai; Tuntulani, Thawatchai; Ruangpornvisuti, Vithaya; Leeladee, Pannee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 16337 - 16349
• a: 11.5432 ± 0.0011 Å
• b: 12.0648 ± 0.0012 Å
• c: 20.011 ± 0.0018 Å
• α: 90°
• β: 94.684 ± 0.003°
• γ: 90°
• Cell volume: 2777.6 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0693
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No