Information card for entry 7043616

Structure parameters

• Formula: C46 H30 N6 O10 Zn2
• Calculated formula: C46 H30 N6 O10 Zn2
• SMILES: C12=[O][Zn]3([n]4ccccc4c4[n]3cccc4)(O2)OC(=O)c2cc(Oc3ccc(C4=[O][Zn]5([n]6ccccc6c6[n]5cccc6)(O4)OC(=O)c4cc(Oc5ccc1cc5)cnc4)cc3)cnc2
• Title of publication: Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block
• Authors of publication: Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.9718 ± 0.0003 Å
• b: 12.3725 ± 0.0003 Å
• c: 15.8392 ± 0.0005 Å
• α: 90°
• β: 105.28 ± 0.003°
• γ: 90°
• Cell volume: 2074.14 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No