Information card for entry 4506392

Structure parameters

• Formula: C76 H52 N12 Ni3 O16 S2
• Calculated formula: C76 H52 N12 Ni3 O16 S2
• Title of publication: Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies
• Authors of publication: Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3758
• a: 9.393 ± 0.002 Å
• b: 13.33 ± 0.003 Å
• c: 14.569 ± 0.004 Å
• α: 80.389 ± 0.019°
• β: 73.261 ± 0.017°
• γ: 83.787 ± 0.018°
• Cell volume: 1718.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No