Information card for entry 7709176

Structure parameters

• Formula: C85.85 H112 Cl9.6 K8.6 N48 O69.94 Zr10
• Calculated formula: C85.86 H112 Cl9.6 K8.6 N48 O69.946 Zr10
• Title of publication: Acid/base responsive assembly/dis-assembly of a family of zirconium(IV) clusters with a cyclic imide-dioxime ligand.
• Authors of publication: Passadis, Stamatis S.; Hadjithoma, Sofia; Papanikolaou, Michael G.; Keramidas, Anastasios D.; Miras, Haralampos N.; Kabanos, Themistoklis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1806 - 1818
• a: 14.456 ± 0.004 Å
• b: 40.268 ± 0.01 Å
• c: 14.682 ± 0.004 Å
• α: 90°
• β: 91.042 ± 0.004°
• γ: 90°
• Cell volume: 8545 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No