Information card for entry 4314199

Structure parameters

• Formula: C39 H39.5 Cl Cu3 N6.5 O10.5
• Calculated formula: C39.5 H37 Cl Cu3 N6 O10.5
• Title of publication: Covalent Linkage of the Type-2 and Type-3 Structural Mimics to Model the Active Site Structure of Multicopper Oxidases: Synthesis and Magneto- Structural Properties of Two Angular Trinuclear Copper(II) Complexes
• Authors of publication: Arindam Mukherjee; Indranil Rudra; Sunil G. Naik; Suryanarayanasastry Ramasesha; Munirathinam Nethaji; Akhil R. Chakravarty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5660 - 5668
• a: 14.18 ± 0.005 Å
• b: 23.932 ± 0.005 Å
• c: 23.635 ± 0.005 Å
• α: 90°
• β: 95.28 ± 0.005°
• γ: 90°
• Cell volume: 7987 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1997
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No