Information card for entry 7249193

Structure parameters

• Formula: C31 H28 N6 Ni O8
• Calculated formula: C31 H28 N6 Ni O8
• SMILES: [Ni]123(ON(=[O]1)=O)([n]1c4ccccc4n(Cc4ccccc4OCCCOc4c(Cn5c[n]2c2c5cccc2)cccc4)c1)ON(=[O]3)=O
• 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 of HSO4−
• Authors of publication: Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 36
• Pages of publication: 5078 - 5089
• a: 7.8426 ± 0.0004 Å
• b: 11.9237 ± 0.0006 Å
• c: 16.445 ± 0.0009 Å
• α: 89.791 ± 0.001°
• β: 87.687 ± 0.001°
• γ: 73.487 ± 0.001°
• Cell volume: 1473.14 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0704
• 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