Information card for entry 4324937

Structure parameters

• Formula: C31 H40 Co F6 Fe N4 O8 P
• Calculated formula: C31 H40 Co F6 Fe N4 O8 P
• 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: 10.4714 ± 0.0002 Å
• b: 13.6885 ± 0.0004 Å
• c: 12.6895 ± 0.0004 Å
• α: 90°
• β: 99.067 ± 0.002°
• γ: 90°
• Cell volume: 1796.16 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No