Information card for entry 4330010

Structure parameters

• Formula: C36 H36 N2 O9 Zn2
• Calculated formula: C36 H34 N2 O9 Zn2
• Title of publication: Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands
• Authors of publication: Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8750 - 8759
• a: 15.7855 ± 0.0018 Å
• b: 29.275 ± 0.003 Å
• c: 8.7622 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4049.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.2071
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No