Information card for entry 4339611

Structure parameters

• Formula: C119.2 H152.4 Cl9.2 N8 O7 Pd S2
• Calculated formula: C119.2 H152.4 Cl9.2 N8 O7 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: 17.288 ± 0.002 Å
• b: 20.308 ± 0.002 Å
• c: 21.536 ± 0.002 Å
• α: 76.9 ± 0.006°
• β: 66.49 ± 0.003°
• γ: 66.033 ± 0.005°
• Cell volume: 6316.7 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3019
• Residual factor for significantly intense reflections: 0.1123
• Weighted residual factors for significantly intense reflections: 0.2513
• Weighted residual factors for all reflections included in the refinement: 0.3411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No