Information card for entry 7021444

Structure parameters

• Formula: C28 H35 F6 N4 O6 P Zn2
• Calculated formula: C28 H35 F6 N4 O6 P Zn2
• Title of publication: Asymmetric zinc(ii) complexes as functional and structural models for phosphoesterases.
• Authors of publication: Daumann, Lena J.; Marty, Laurène; Schenk, Gerhard; Gahan, Lawrence R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9574 - 9584
• a: 13.137 ± 0.005 Å
• b: 13.669 ± 0.006 Å
• c: 20.822 ± 0.008 Å
• α: 85.047 ± 0.003°
• β: 85.468 ± 0.003°
• γ: 66.511 ± 0.004°
• Cell volume: 3412 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No