Information card for entry 4315345

Structure parameters

• Formula: C18 H30 Br2 Cu3 N4 S4
• Calculated formula: C18 H30 Br2 Cu3 N4 S4
• Title of publication: Magnetic and Conducting Properties of New Halide-Bridged Mixed-Valence CuI-CuII 1D Coordination Polymers Including a Hexamethylene Dithiocarbamate Ligand
• Authors of publication: Takashi Okubo; Naoya Tanaka; Kyung Ho Kim; Hironobu Yone; Masahiko Maekawa; Takayoshi Kuroda-Sowa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3700 - 3702
• a: 10.467 ± 0.014 Å
• b: 8.278 ± 0.006 Å
• c: 15.967 ± 0.015 Å
• α: 90°
• β: 105.96 ± 0.04°
• γ: 90°
• Cell volume: 1330 ± 2 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No