Information card for entry 7017433

Structure parameters

• Formula: C74 H102 Br8 N16 Pd4
• Calculated formula: C74 H102 Br8 N16 Pd4
• Title of publication: [2]Rotaxanes with Palladium(ii)-NHC stoppers.
• Authors of publication: Huynh, Han Vinh; Sim, Weiheng; Chin, Chee Fei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11690 - 11692
• a: 20.3588 ± 0.0006 Å
• b: 17.531 ± 0.0005 Å
• c: 26.8606 ± 0.0008 Å
• α: 90°
• β: 107.901 ± 0.001°
• γ: 90°
• Cell volume: 9122.7 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.091
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No