Information card for entry 7228909

Structure parameters

• Formula: C26 H28 Cl2 Cu N4 O8
• Calculated formula: C26 H28 Cl2 Cu N4 O8
• SMILES: c12ccccc1[n+](cn2CCC(=O)O[Cu](OC(=O)CCn1c2ccccc2[n+](c1)CCC(=O)O)(Cl)Cl)CCC(=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: 7.1515 ± 0.0019 Å
• b: 8.865 ± 0.002 Å
• c: 11.362 ± 0.003 Å
• α: 104.209 ± 0.004°
• β: 97.479 ± 0.004°
• γ: 102.373 ± 0.003°
• Cell volume: 669.2 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No