Information card for entry 8100347

Structure parameters

• Formula: C18 H36 Cu N6 S2
• Calculated formula: C18 H36 Cu N6 S2
• Title of publication: Crystal structure of bis(thiocyanato)(γ-C-meso-5,5,7,12,12,14- hexamethyl-1,4,8,11-tetraazacyclotetradecanecopper(II), C~18~H~36~CuN~6~S~2~
• Authors of publication: Zhu, Hai-Liang; Liu, Qiong-Xin; Liu, Xing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 2
• Pages of publication: 259 - 260
• a: 7.6907 ± 0.0014 Å
• b: 9.449 ± 0.003 Å
• c: 16.38 ± 0.002 Å
• α: 90°
• β: 101.08 ± 0.02°
• γ: 90°
• Cell volume: 1168.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0857
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No