Information card for entry 7211094

Structure parameters

• Formula: C32 H38 N10 O18 Zn3
• Calculated formula: C32 H38 N10 O18 Zn3
• SMILES: c1cc2[n]3[Zn]4([n]5[nH]c(cc25)C)([O]=C2C(O4)=[O][Zn]45([O]C6C(=[O][Zn]78([n]9c(cc(C)[nH]9)c9cccc([n]79)c7[n]8[nH]c(c7)C)([OH2])O6)O4)(O2)OC(=O)C(=O)O5)([n]2c(cc(C)[nH]2)c3c1)[OH2].O.O.O.O
• Title of publication: Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties
• Authors of publication: Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 9135
• a: 23.908 ± 0.004 Å
• b: 10.0503 ± 0.0018 Å
• c: 17.068 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4101.1 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No