Information card for entry 7059854

Structure parameters

• Formula: C134 H111 N7 O13 Zn4
• Calculated formula: C134 H111 N7 O13 Zn4
• Title of publication: Structural analysis and catalytic activity of tetranuclear metal carboxylate clusters with a [KZn3(μ3-OH)(OOCCPh3)6] or [Zn4(μ4-O)(OOCCPh3)6] central motif
• Authors of publication: Petrus, Rafał; Utko, Józef; Sobota, Piotr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 13771 - 13780
• a: 13.61 ± 0.003 Å
• b: 15.338 ± 0.004 Å
• c: 29.649 ± 0.008 Å
• α: 92.1 ± 0.03°
• β: 97.87 ± 0.03°
• γ: 112.25 ± 0.03°
• Cell volume: 5648 ± 3 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: 0.0998
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No