Information card for entry 7701902

Structure parameters

• Formula: C42 H45.5 Cl2 Cu2 N11.5 O11.5
• Calculated formula: C42.002 H45.503 Cl2 Cu2 N11.501 O11.5
• Title of publication: Catechol oxidase activity of comparable dimanganese and dicopper complexes.
• Authors of publication: Magherusan, Adriana M.; Nelis, Daniel N.; Twamley, Brendan; McDonald, Aidan R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 43
• Pages of publication: 15555 - 15564
• a: 12.8864 ± 0.0008 Å
• b: 13.153 ± 0.0008 Å
• c: 16.606 ± 0.0011 Å
• α: 80.111 ± 0.002°
• β: 71.25 ± 0.002°
• γ: 61.869 ± 0.001°
• Cell volume: 2349.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No