Information card for entry 7017572

Structure parameters

• Formula: C52 H68 Br2 F14 N8 O14 P4 Zn4
• Calculated formula: C52 H68 Br2 F14 N8 O14 P4 Zn4
• Title of publication: The role of Zn-OR and Zn-OH nucleophiles and the influence of para-substituents in the reactions of binuclear phosphatase mimetics.
• Authors of publication: Daumann, Lena J.; Dalle, Kristian E.; Schenk, Gerhard; McGeary, Ross P.; Bernhardt, Paul V.; Ollis, David L.; Gahan, Lawrence R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1695 - 1708
• a: 13.3002 ± 0.0006 Å
• b: 15.8922 ± 0.0006 Å
• c: 19.6397 ± 0.0007 Å
• α: 94.791 ± 0.003°
• β: 109.511 ± 0.004°
• γ: 112.586 ± 0.004°
• Cell volume: 3504.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No