Information card for entry 7210278

Structure parameters

• Formula: C20 H21 Cl2 Cu2 N13 O6
• Calculated formula: C20 H21 Cl2 Cu2 N13 O6
• SMILES: c1cncc2C(C)=[N]3[Cu]4([n]12)(n1c(ccc(Cl)n1)=N3)[n]1c(ccc2n1[Cu]1([N](=C(C)c3cncc[n]13)N=2)[OH]4)Cl.N(=O)(=O)[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: 11.2535 ± 0.0006 Å
• b: 11.921 ± 0.001 Å
• c: 12.0912 ± 0.0009 Å
• α: 92.17 ± 0.007°
• β: 115.524 ± 0.006°
• γ: 107.005 ± 0.006°
• Cell volume: 1374.3 ± 0.2 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: 0.0462
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No