Information card for entry 7241176

Structure parameters

• Formula: C52 H32 N8 O4 Zn2
• Calculated formula: C55 H32 N8 O14 Zn2
• SMILES: [Zn]1234Oc5cccc6c5[n]2c(cc6)c2n(Cc5[n]3c3c(cccc3O1)cc5)c1c([n]2[Zn]235Oc6cccc7ccc([n]3c67)Cn3c6c([n]4c3c3[n]5c4c(O2)cccc4cc3)cccc6)cccc1.OC.OC.OC.O.O.O.O.O.O.O
• Title of publication: Synthesis, characterization and computational studies of Zn complex based on the 8-hydroxyquinoline group containing benzimidazole
• Authors of publication: Li, Shanji; Wen, Huawen; Yuan, Ningning; Xie, Pengbo; Qin, Jinlan; Wang, Zhengfang
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 54
• Pages of publication: 32490 - 32496
• a: 11.4106 ± 0.0003 Å
• b: 12.2137 ± 0.0003 Å
• c: 20.5158 ± 0.0006 Å
• α: 87.203 ± 0.002°
• β: 76.153 ± 0.002°
• γ: 70.627 ± 0.002°
• Cell volume: 2617.46 ± 0.13 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0841
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No