Information card for entry 7059852

Structure parameters

• Formula: C131.2 H108.8 K N5 O13 Zn3
• Calculated formula: C131.2 H108.8 K N5 O13 Zn3
• 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: 14.302 ± 0.004 Å
• b: 15.362 ± 0.005 Å
• c: 27.872 ± 0.009 Å
• α: 74.68 ± 0.03°
• β: 84.79 ± 0.03°
• γ: 66.28 ± 0.03°
• Cell volume: 5406 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No