Information card for entry 7210277

Structure parameters

• Formula: C20 H17 Cl3 Cu2 N12 O5
• Calculated formula: C20 H17 Cl3 Cu2 N12 O5
• SMILES: c12cncc[n]1[Cu]134[OH][Cu]56([n]7c(ccc([n]37)[N-][N]4=C2C)Cl)[n]2c(ccc([n]12)Cl)[N-][N]6=C(c1cncc[n]51)C.[O-]Cl(=O)(=O)=O
• Title of publication: Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone
• Authors of publication: Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 32
• Pages of publication: 6359
• a: 14.641 ± 0.007 Å
• b: 14.569 ± 0.007 Å
• c: 12.478 ± 0.006 Å
• α: 90°
• β: 94.49 ± 0.004°
• γ: 90°
• Cell volume: 2653 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No