Information card for entry 4324327

Structure parameters

• Formula: C18 H20 Cu I N2 O4 S2
• Calculated formula: C18 H20 Cu I N2 O4 S2
• Title of publication: Copper(I) Coordination Polymers of N,N'-Bis[3-(methylthio)propyl]pyromellitic Diimide: Crystal Transformation and Solvatochromism by Halogen-π Interactions
• Authors of publication: Garam Park; Hojin Yang; Tae Ho Kim; Jineun Kim
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 961 - 968
• a: 9.5404 ± 0.0008 Å
• b: 11.0627 ± 0.0009 Å
• c: 11.2515 ± 0.0009 Å
• α: 62.306 ± 0.001°
• β: 82.881 ± 0.001°
• γ: 83.975 ± 0.001°
• Cell volume: 1041.85 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No