Information card for entry 7016573

Structure parameters

• Formula: C49 H84 F12 N8 O14 Pd2 S4 Si4
• Calculated formula: C49 H84 F12 N8 O14 Pd2 S4 Si4
• Title of publication: Pseudorotaxane-type n-hydrocarbon container. Metallacyclodimer of ionic palladium(ii) complexes containing 1,3-bis(4-pyridyl)tetramethyldisiloxane.
• Authors of publication: Ahn, Jungmin; Min Kim, Sung; Hwan Noh, Tae; Jung, Ok-Sang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 34
• Pages of publication: 8520 - 8522
• a: 10.0638 ± 0.0002 Å
• b: 13.5769 ± 0.0002 Å
• c: 13.6782 ± 0.0002 Å
• α: 96.863 ± 0.001°
• β: 98.995 ± 0.001°
• γ: 90.964 ± 0.001°
• Cell volume: 1831.51 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No