Information card for entry 4304026

Structure parameters

• Formula: C60 H76 N4 O6 Zn2
• Calculated formula: C60 H76 N4 O6 Zn2
• Title of publication: Synthesis and Properties of Diphenoxo-Bridged CoII, NiII, CuII, and ZnII Complexes of a New Tripodal Ligand: Generation and Properties of MII-Coordinated Phenoxyl Radical Species
• Authors of publication: Atasi Mukherjee; Francesc Lloret; Rabindranath Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4471 - 4480
• a: 40.963 ± 0.005 Å
• b: 14.032 ± 0.005 Å
• c: 20.353 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.542 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 11271 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1575
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No