Information card for entry 7114163

Structure parameters

• Formula: C17 H13 Cl2 Cu F6 N3 P S3
• Calculated formula: C17 H13 Cl2 Cu F6 N3 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: 13.6779 ± 0.0006 Å
• b: 20.4121 ± 0.0009 Å
• c: 8.5003 ± 0.0004 Å
• α: 90°
• β: 102.049 ± 0.002°
• γ: 90°
• Cell volume: 2320.95 ± 0.18 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.848
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No