Information card for entry 4103824

Structure parameters

• Formula: C93.64 H89.29 Cl3.29 Cu2 F12 N10 O15 P2
• Calculated formula: C93.647 H89.294 Cl3.294 Cu2 F12 N10 O15 P2
• Title of publication: Reduction of a Redox-Active Ligand Drives Switching in a Cu(I) Pseudorotaxane by a Bimolecular Mechanism
• Authors of publication: Kristy A. McNitt; Kumar Parimal; Andrew I. Share; Albert C. Fahrenbach; Edward H. Witlicki; Maren Pink; D. Kwabena Bediako; Christina L. Plaisier; Nga Le; Lee P. Heeringa; Douglas A. Vander Griend; Amar H. Flood
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 1305 - 1313
• a: 13.396 ± 0.002 Å
• b: 14.841 ± 0.003 Å
• c: 24.848 ± 0.004 Å
• α: 87.145 ± 0.003°
• β: 85.91 ± 0.004°
• γ: 66.989 ± 0.003°
• Cell volume: 4534.1 ± 1.4 ų
• Cell temperature: 15 ± 2 K
• Ambient diffraction temperature: 15 ± 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: 0.1312
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2371
• Weighted residual factors for all reflections included in the refinement: 0.2708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No