Information card for entry 4350253

Structure parameters

• Formula: C72 H68 Cl2 Fe2 N12 O29 P2 Zn2
• Calculated formula: C72 H68 Cl2 Fe2 N12 O29 P2 Zn2
• Title of publication: Synthesis, reactivities, and magnetostructural properties of FeIII, FeIII-O-FeIII, and ZnIIFeIII-O-FeIIIZnII complexes of a tetraiminodiphenolate macrocycle.
• Authors of publication: Biswas, Papu; Ghosh, Meenakshi; Dutta, Sujit K.; Flörke, Ulrich; Nag, Kamalaksha
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 4830 - 4844
• a: 14.2859 ± 0.0005 Å
• b: 19.2184 ± 0.0007 Å
• c: 14.7702 ± 0.0005 Å
• α: 90°
• β: 96.001 ± 0.001°
• γ: 90°
• Cell volume: 4033 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No