Information card for entry 2217127

Structure parameters

• Chemical name: [(1-Azulenyl)methanethiolato-κS](1,4,8,12-tetraazacyclopentadecane-\ κ^4^N)zinc(II) perchlorate
• Formula: C22 H35 Cl N4 O4 S Zn
• Calculated formula: C22 H35 Cl N4 O4 S Zn
• Title of publication: [(1-Azulenyl)methanethiolato-κ<i>S</i>](1,4,8,12-tetraazacyclopentadecane-κ^4^<i>N</i>)zinc(II) perchlorate
• Authors of publication: Görls, Helmar; Johannes Notni; Anders, Ernst
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m203 - m203
• a: 8.0795 ± 0.0001 Å
• b: 13.7163 ± 0.0003 Å
• c: 23.0913 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2559 ± 0.08 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes