Information card for entry 7125060

Structure parameters

• Chemical name: (M8L4 bowl) - (cyclic tetrasiloxane) complex
• Formula: C108 H166 N55 O59.5 Pd8 Si4
• Calculated formula: C108 H132 N55 O59.5 Pd8 Si4
• Title of publication: Capsule-bowl conversion triggered by a guest reaction.
• Authors of publication: Wang, Shitao; Sawada, Tomohisa; Fujita, Makoto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 78
• Pages of publication: 11653 - 11656
• a: 24.8071 ± 0.0015 Å
• b: 18.2127 ± 0.0012 Å
• c: 40.556 ± 0.003 Å
• α: 90°
• β: 96.472 ± 0.002°
• γ: 90°
• Cell volume: 18207 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.2592
• Residual factor for significantly intense reflections: 0.1562
• Weighted residual factors for significantly intense reflections: 0.4073
• Weighted residual factors for all reflections included in the refinement: 0.4493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No