Information card for entry 4324939

Structure parameters

• Formula: C38 H42 F6 Fe N4 O7 P Zn
• Calculated formula: C38 H42 F6 Fe N4 O7 P Zn
• Title of publication: Synthesis, Characterization, and Reactivity Studies of Heterodinuclear Complexes Modeling Active Sites in Purple Acid Phospatases
• Authors of publication: Martin Jarenmark; Matti Haukka; Serhiy Demeshko; Felix Tuczek; Luca Zuppiroli; Franc Meyer; Ebbe Nordlander
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3866 - 3887
• a: 18.9033 ± 0.0006 Å
• b: 13.75 ± 0.0007 Å
• c: 14.9602 ± 0.0005 Å
• α: 90°
• β: 90.29 ± 0.002°
• γ: 90°
• Cell volume: 3888.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No