Information card for entry 4332812

Structure parameters

• Formula: C11 H22 Cl Cu0.5 N2 O4
• Calculated formula: C11 H22 Cl Cu0.5 N2 O4
• Title of publication: Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged Honeycomblike Layers MV−CuII(M = Mo, W) Chelated by a Macrocyclic Ligand
• Authors of publication: Lim, Jeong Hak; Kang, Jun Sung; Kim, Hyoung Chan; Koh, Eui Kwan; Hong, Chang Seop
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7821 - 7827
• a: 9.2736 ± 0.0002 Å
• b: 11.6867 ± 0.0002 Å
• c: 13.0068 ± 0.0002 Å
• α: 90°
• β: 96.403 ± 0.001°
• γ: 90°
• Cell volume: 1400.85 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No