Information card for entry 7243118

Structure parameters

• Formula: C32 H36 Cu2 N4 O8
• Calculated formula: C32 H36 Cu2 N4 O8
• Title of publication: Catechol oxidation promoted by bridging phenoxo moieties in a bis(μ-phenoxo)-bridged dicopper(ii) complex
• Authors of publication: Mukherjee, Debojyoti; Nag, Probal; Shteinman, Albert A.; Vennapusa, Sivaranjana Reddy; Mandal, Ujjwal; Mitra, Mainak
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 37
• Pages of publication: 22951 - 22959
• a: 8.5547 ± 0.0003 Å
• b: 9.8407 ± 0.0004 Å
• c: 10.2731 ± 0.0004 Å
• α: 113.733 ± 0.001°
• β: 99.453 ± 0.002°
• γ: 92.307 ± 0.002°
• Cell volume: 775.51 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No