Information card for entry 7003790

Structure parameters

• Formula: C46 H90 N4 O40 Zn3
• Calculated formula: C46 H90 N4 O40 Zn3
• Title of publication: Synthesis and characterization of mono- and μ6-sulfato hexanuclear zinc complexes of a new symmetric dinucleating ligand
• Authors of publication: Curtiss, Ashley B. S.; Bera, Manindranath; Musie, Ghezai T.; Powell, Douglas R.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 20
• Pages of publication: 2717 - 2724
• a: 10.355 ± 0.003 Å
• b: 12.631 ± 0.004 Å
• c: 14.161 ± 0.004 Å
• α: 88.638 ± 0.008°
• β: 71.466 ± 0.008°
• γ: 65.914 ± 0.008°
• Cell volume: 1591.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No