Information card for entry 4503211

Structure parameters

• Formula: C36 H36 N8 Ni2 O8
• Calculated formula: C36 H36 N8 Ni2 O8
• Title of publication: Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands
• Authors of publication: Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 606
• a: 15.389 ± 0.003 Å
• b: 9.4636 ± 0.0019 Å
• c: 12.728 ± 0.003 Å
• α: 90°
• β: 104.98 ± 0.03°
• γ: 90°
• Cell volume: 1790.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No