Information card for entry 7008758

Structure parameters

• Formula: C16 H12 Cu F N3 S3
• Calculated formula: C16 H12 Cu F 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: 18.583 ± 0.007 Å
• b: 13.026 ± 0.005 Å
• c: 14.035 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3397 ± 2 ų
• Cell temperature: 193.2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No