Information card for entry 4511570

Structure parameters

• Formula: C21 H21 Cd N6 O4 S
• Calculated formula: C21 H21 Cd N6 O4 S
• Title of publication: Parallel and Inclined (1D →2D) Interlacing Modes in New Polyrotaxane Frameworks [M2(bix)3(SO4)2] [M = Zn(II), Cd(II); Bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]
• Authors of publication: Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 37
• a: 13.8132 ± 0.0012 Å
• b: 11.1759 ± 0.0009 Å
• c: 14.4009 ± 0.0012 Å
• α: 90°
• β: 96.37 ± 0.002°
• γ: 90°
• Cell volume: 2209.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for all reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.0595
• Goodness-of-fit parameter for all reflections: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No