Information card for entry 4302252

Structure parameters

• Formula: C8 H4 Cl1.5 Cu N2 S2 Se2
• Calculated formula: C8 H4 Cl1.5 Cu N2 S2 Se2
• Title of publication: High Conductivity of the New Supramoleclar Copper Complex with Oxidized Pyrazinoselenathiafulvalene (=pyra-STF) as the Ligand, [CuICl1.5(pyra-STF)0.5+]
• Authors of publication: Shun Ichikawa; Hatsumi Mori
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4643 - 4645
• a: 7.523 ± 0.004 Å
• b: 11.723 ± 0.006 Å
• c: 6.955 ± 0.004 Å
• α: 90.71 ± 0.05°
• β: 103.86 ± 0.05°
• γ: 83.88 ± 0.04°
• Cell volume: 592.1 ± 0.6 ų
• Cell temperature: 120.1 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 significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No