Information card for entry 1550218

Structure parameters

• Formula: C44 H36 D24 Mo2 O12 S4
• Calculated formula: C44 H36 D24 Mo2 O12 S4
• Title of publication: M24+ paddlewheel clusters as junction points in single-chain nanoparticles
• Authors of publication: Knöfel, Nicolai D.; Rothfuss, Hannah; Barner-Kowollik, Christopher; Roesky, Peter W.
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 86
• a: 10.066 ± 0.002 Å
• b: 11.5 ± 0.002 Å
• c: 12.806 ± 0.003 Å
• α: 67.91 ± 0.03°
• β: 88.31 ± 0.03°
• γ: 67.8 ± 0.03°
• Cell volume: 1260.8 ± 0.6 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 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: 0.0311
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No