Information card for entry 7040740

Structure parameters

• Formula: C48 H55 Cl3 N10 O22 Zn4
• Calculated formula: C48 H55 Cl3 N10 O22 Zn4
• Title of publication: Metallohydrolase biomimetics with catalytic and structural flexibility.
• Authors of publication: Mendes, Luisa L.; Englert, Daniel; Fernandes, Christiane; Gahan, Lawrence R.; Schenk, Gerhard; Horn, Adolfo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18510 - 18521
• a: 13.721 ± 0.0007 Å
• b: 15.4894 ± 0.0007 Å
• c: 17.1435 ± 0.0008 Å
• α: 66.918 ± 0.004°
• β: 67.606 ± 0.005°
• γ: 75.704 ± 0.004°
• Cell volume: 3078.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No