Information card for entry 7114162

Structure parameters

• Formula: C17 H12 Cu F6 N4 P S3
• Calculated formula: C17 H12 Cu F6 N4 P S3
• Title of publication: Thia-calix[n]pyridines, synthesis and coordination to Cu(i,ii) ions with both N and S donor atomsElectronic supplementary information (ESI) available: emission spectra of compound 1. See http://www.rsc.org/suppdata/cc/b2/b203540e/
• Authors of publication: Tanaka, Rika; Yano, Toshihiro; Nishioka, Takanori; Nakajo, Kunio; Breedlove, Brian K.; Kimura, Kentaro; Kinoshita, Isamu; Isobe, Kiyoshi
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 1686
• a: 23.748 ± 0.003 Å
• b: 12.198 ± 0.002 Å
• c: 14.594 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4227.6 ± 0.9 ų
• Cell temperature: 200.2 K
• Number of distinct elements: 7
• 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: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No