Information card for entry 7114775

Structure parameters

• Common name: (CUI)4(bpds)
• Formula: C11.5 H10.5 Cu2 I2 N2.5 S2
• Calculated formula: C11.5 H10.5 Cu2 I2 N2.5 S2
• Title of publication: Topological isomerism in coordination polymers
• Authors of publication: Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Crew, Marcello; Gregory, Duncan H.; Hubberstey, Peter; Schröder, Martin; Deveson, Anne; Fenske, Dieter; Hanton, Lyall R.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 16
• Pages of publication: 1432
• a: 19.493 ± 0.004 Å
• b: 10.76 ± 0.002 Å
• c: 17.334 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3635.7 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No