Information card for entry 7712387

Structure parameters

• Formula: C32 H96 Cl La N4 O44 S12 V12
• Calculated formula: C32 H96 Cl La N4 O44 S12 V12
• Title of publication: Mechanistic insights into template-driven polyoxovanadate self-assembly: the role of internal and external templates
• Authors of publication: Repp, Stefan; Junginger, Kim; Sorsche, Dieter; Zorn, Theresa; Poppler, Ann-Christin; Kikukawa, Yuji; Hayashi, Yoshihito; Streb, Carsten
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 19.7197 ± 0.001 Å
• b: 19.7197 ± 0.001 Å
• c: 10.9727 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4266.9 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No