Information card for entry 2007549

Structure parameters

• Formula: C15 H32 Cl Cu N5 O4 S
• Calculated formula: C15 H32 Cl Cu N5 O4 S
• Title of publication: (Isothiocyanato-κ<i>N</i>)(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)copper(II) Perchlorate
• Authors of publication: Lu, Tian-Huey; Shui, Wei-Ze; Tung, Shu-Fang; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1071 - 1072
• a: 8.9245 ± 0.001 Å
• b: 14.9611 ± 0.001 Å
• c: 15.7331 ± 0.0013 Å
• α: 90°
• β: 96.184 ± 0.01°
• γ: 90°
• Cell volume: 2088.5 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No