Information card for entry 4500193

Structure parameters

• Formula: C24 H20 N8 Ni O6 S
• Calculated formula: C24 H16 N8 Ni O6 S
• Title of publication: Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene
• Authors of publication: Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1082
• a: 9.943 ± 0.002 Å
• b: 21.71 ± 0.005 Å
• c: 13.266 ± 0.003 Å
• α: 90°
• β: 97.638 ± 0.004°
• γ: 90°
• Cell volume: 2838.2 ± 1.1 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: 0.0677
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No