Information card for entry 7228914

Structure parameters

• Formula: C26 H30 Cl2 Cu2 N4 O10
• Calculated formula: C26 H30 Cl2 Cu2 N4 O10
• SMILES: c12c([n+]3cn1CCC1=[O][Cu]456(Cl)[O]=C7CCn8c9ccccc9[n+](c8)CCC(O4)=[O][Cu]6(O1)(O7)([O]=C(O5)CC3)Cl)cccc2.O.O
• Title of publication: Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties
• Authors of publication: Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 9.213 ± 0.002 Å
• b: 9.467 ± 0.002 Å
• c: 9.476 ± 0.002 Å
• α: 87.455 ± 0.004°
• β: 78.051 ± 0.003°
• γ: 65.434 ± 0.003°
• Cell volume: 734.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0266
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No