Information card for entry 1516845

Structure parameters

• Formula: C15 H6 N7 O2 Zn2
• Calculated formula: C15 H6 N7.02 O2.04 Zn2
• Title of publication: Spontaneous resolution of novel Zn complexes in the formation of 3D metal-organic frameworks based on 2,2'-biimidazole ligand
• Authors of publication: Yu-Hui Tan; Ji-Si Wu; Chang-Shan Yang; Qiang-Ren Liu; Yun-Zhi Tang; Yong-Rui Zhong; Bao-Hui Ye
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 399
• Pages of publication: 45 - 49
• a: 14.8352 ± 0.0002 Å
• b: 14.8352 ± 0.0002 Å
• c: 14.8352 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3264.98 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 214
• Hermann-Mauguin space group symbol: I 41 3 2
• Hall space group symbol: I 4bd 2c 3
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No