Information card for entry 1571651

Structure parameters

• Formula: C92 H154 Cl8 Mo18 N15 O62 P2
• Calculated formula: C92 H154 Cl8 Mo18 N15 O62 P2
• Title of publication: Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.
• Authors of publication: Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 9281 - 9286
• a: 27.1448 ± 0.0003 Å
• b: 27.3825 ± 0.0003 Å
• c: 29.9056 ± 0.0005 Å
• α: 90°
• β: 100.611 ± 0.0013°
• γ: 90°
• Cell volume: 21848.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0879
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.4142 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No