Information card for entry 4330008

Structure parameters

• Formula: C23 H23 Cl3 N4 O Zn2
• Calculated formula: C23 H23 Cl3 N4 O 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: 25.599 Å
• b: 11.871 Å
• c: 16.507 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5016.24 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No