Information card for entry 4350117

Structure parameters

• Formula: C36 H64 Cl2 N6 O12 S4 Zn2
• Calculated formula: C36 H64 Cl2 N6 O12 S3.957 Zn2
• Title of publication: Solvent effects on the structural and formyl substrate reactivity properties of a nitrogen/sulfur-ligated zinc hydroxide complex.
• Authors of publication: Allred, Russell A.; Doyle, Kelly; Arif, Atta M.; Berreau, Lisa M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4097 - 4108
• a: 8.3253 ± 0.0002 Å
• b: 14.0611 ± 0.0005 Å
• c: 20.5801 ± 0.0007 Å
• α: 86.609 ± 0.001°
• β: 88.42 ± 0.002°
• γ: 88.105 ± 0.002°
• Cell volume: 2402.84 ± 0.13 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 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: 0.0921
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No