Information card for entry 7114164

Structure parameters

• Formula: C22 H16 Br4 Cl4 Cu3 N4 S4
• Calculated formula: C22 H16 Br4 Cl4 Cu3 N4 S4
• 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: 13.3084 ± 0.0007 Å
• b: 13.3084 ± 0.0007 Å
• c: 9.2055 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1630.42 ± 0.14 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.977
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No