Information card for entry 4339612

Structure parameters

• Formula: C94.5 H117.1 Cl12.9 N8 O5.7 Pd S2
• Calculated formula: C94.5 H117.1 Cl12.9 N8 O5.7 Pd S2
• Title of publication: [2]Pseudorotaxane and [2]rotaxane molecular shuttles: self-assembly through second-sphere coordination of thiocyanate ligands.
• Authors of publication: Blight, Barry A.; Wei, Xu; Wisner, James A.; Jennings, Michael C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8445 - 8447
• a: 25.1506 ± 0.0008 Å
• b: 23.5357 ± 0.001 Å
• c: 21.7239 ± 0.0008 Å
• α: 90°
• β: 124.346 ± 0.002°
• γ: 90°
• Cell volume: 10617.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.2716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No