Information card for entry 4504496

Structure parameters

• Formula: C26 H20 Cl2 Cu N8 O8
• Calculated formula: C26 H20 Cl2 Cu N8 O8
• SMILES: [Cu]123([n]4c(ccn4Cc4c(Cn5ccc(c6cccc[n]36)[n]25)nc2c(cccc2)n4)c2cccc[n]12)OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications
• Authors of publication: Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 99
• a: 10.1298 ± 0.0006 Å
• b: 12.3163 ± 0.0006 Å
• c: 12.9485 ± 0.0007 Å
• α: 111.533 ± 0.002°
• β: 106.068 ± 0.002°
• γ: 99.921 ± 0.002°
• Cell volume: 1374.57 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1146
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2528
• 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: No
• Has Fobs: No