Information card for entry 7050311

Structure parameters

• Formula: C34 H69 Cl Cr Cu2 N18 O4.5
• Calculated formula: C34 H68 Cl Cr Cu2 N18 O4.5
• Title of publication: Crystal structure and magnetic behavior of a three-dimensional cyano-bridged assembly [CuL1]2[Cr(CN)6]ClO4¡Á0.5H2O (L1= 3,10-dipropyl-1,3,5,8,10,12- hexaazacyclotetradecane)
• Authors of publication: Zheng Xu; Song Gao; Xiao-Ping Shen; Gui Yin; Kai-Bei Yu
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 14.304 ± 0.001 Å
• b: 14.304 ± 0.001 Å
• c: 42.791 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7581.9 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No