Information card for entry 2108124

Structure parameters

• Common name: complex 1
• Formula: C10 H8 O8 Zn
• Calculated formula: C10 H8 O8 Zn
• SMILES: [Zn](OC(=O)c1oc(cc1)c1oc(C(=O)[O-])cc1)([OH2])(OC(=O)c1oc(cc1)c1oc(C(=O)O[Zn]([OH2])[OH2])cc1)[OH2]
• Title of publication: Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
• Authors of publication: Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 715 - 721
• a: 15.3546 ± 0.0007 Å
• b: 5.8885 ± 0.0003 Å
• c: 11.9905 ± 0.0005 Å
• α: 90°
• β: 100.762 ± 0.001°
• γ: 90°
• Cell volume: 1065.06 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes