Information card for entry 7008759

Structure parameters

• Formula: C16 H12 Cu I N3 S3
• Calculated formula: C16 H12 Cu I N3 S3
• Title of publication: A complete series of copper(II) halide complexes (X = F, Cl, Br, I) with a novel Cu(II)-C(sp3) bond.
• Authors of publication: Miyamoto, Riichi; Santo, Ryoko; Matsushita, Toshio; Nishioka, Takanori; Ichimura, Akio; Teki, Yoshio; Kinoshita, Isamu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 19
• Pages of publication: 3179 - 3186
• a: 9.329 ± 0.003 Å
• b: 13.504 ± 0.004 Å
• c: 14.721 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1854.5 ± 1 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No