Information card for entry 7113431

Structure parameters

• Formula: C105.6 H106.8 B2 Cl1.6 N6 O9.8 Zn2
• Calculated formula: C105.6 H101 B2 Cl1.6 N6 O9.8 Zn2
• Title of publication: Synthesis and structure of [Zn(OMe)(L)]·[Zn(OH)(L)]·2(BPh4), L = cis,cis-1,3,5-tris[(E,E)-3-(2-furyl)acrylideneamino]cyclohexane: structural models of carbonic anhydrase and liver alcohol dehydrogenase
• Authors of publication: Cronin, Leroy; Walton, Paul H.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 1572 - 1573
• a: 18.147 ± 0.01 Å
• b: 29.799 ± 0.008 Å
• c: 18.392 ± 0.005 Å
• α: 90°
• β: 98.63 ± 0.04°
• γ: 90°
• Cell volume: 9833 ± 7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.2147
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2631
• Weighted residual factors for all reflections included in the refinement: 0.3196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103723
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No