Information card for entry 7249189

Structure parameters

• Formula: C32 H31 Cu N5 O7 S
• Calculated formula: C32 H31 Cu N5 O7 S
• Title of publication: Six cobalt(II), zinc(II), nickel(II) and copper(II) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition for HSO4-
• Authors of publication: Zhao, Zhixiang; Yang, Yue; Hu, Lin-Hai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 10.546 ± 0.008 Å
• b: 12.516 ± 0.009 Å
• c: 12.968 ± 0.009 Å
• α: 68.893 ± 0.012°
• β: 79.659 ± 0.013°
• γ: 72.373 ± 0.011°
• Cell volume: 1517.1 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.2224
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No