Information card for entry 7110671

Structure parameters

• Formula: C16 H22 Cl Cu3 F6 N3 P S3 W
• Calculated formula: C16 H22 Cl Cu3 F6 N3 P S3 W
• Title of publication: Synthesis and structures of a triply-fused incomplete-cubane cluster [{(η5-C5Me5)WS3}3Cu7(MeCN)9](PF6)4 and a 2D polymer [(η5-C5Me5)WS3Cu3Cl(MeCN)(pz)]PF6 (pz = pyrazine)
• Authors of publication: Lang, Jian-Ping; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 2315
• a: 16.055 ± 0.003 Å
• b: 26.78 ± 0.01 Å
• c: 12.295 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5286 ± 3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.631
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No