Information card for entry 4318799

Structure parameters

• Formula: C38 H39.8 Cl Fe N5 O10.4 Zn
• Calculated formula: C38 H39 Cl Fe N5 O10.4 Zn
• Title of publication: New FeIIIZnII Complex Containing a Single Terminal Fe-Ophenolate Bond as a Structural and Functional Model for the Active Site of Red Kidney Bean Purple Acid Phosphatase
• Authors of publication: Mauricio Lanznaster; Ademir Neves; Adailton J. Bortoluzzi; Bruno Szpoganicz; Erineu Schwingel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5641 - 5643
• a: 19.612 ± 0.004 Å
• b: 10.795 ± 0.002 Å
• c: 20.807 ± 0.004 Å
• α: 90°
• β: 116.67 ± 0.03°
• γ: 90°
• Cell volume: 3936.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No