Information card for entry 7016574

Structure parameters

• Formula: C50 H86 F12 N8 O14 Pd2 S4 Si4
• Calculated formula: C50 H86 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: 10.0994 ± 0.0002 Å
• b: 13.5934 ± 0.0002 Å
• c: 13.6673 ± 0.0003 Å
• α: 96.268 ± 0.001°
• β: 99.365 ± 0.001°
• γ: 91.007 ± 0.001°
• Cell volume: 1839.05 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0384
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No