Information card for entry 7210276

Structure parameters

• Formula: C20 H16 Cl4 Cu2 N12
• Calculated formula: C20 H16 Cl4 Cu2 N12
• SMILES: c1cncc2[n]1[Cu]13(N(=Nc4ccc(n[n]14)Cl)=C2C)[Cl][Cu]12([n]4ccncc4C(=N1=Nc1ccc(n[n]21)Cl)C)[Cl]3
• 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: 14.87 ± 0.006 Å
• b: 19.709 ± 0.008 Å
• c: 8.759 ± 0.003 Å
• α: 90°
• β: 106.423 ± 0.004°
• γ: 90°
• Cell volume: 2462.3 ± 1.6 ų
• Cell temperature: 293 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.58
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No