Information card for entry 1518321

Structure parameters

• Formula: C28 H28 N8 O8 Zn2
• Calculated formula: C28 H28 N8 O8 Zn2
• SMILES: [Zn]123(OC(=O)c4[n]1n([Zn]15(OC(=O)c6[n]1n3cc6)([OH2])[n]1ccccc1c1[n]5cccc1)cc4)([OH2])[n]1c(c3[n]2cccc3)cccc1.O.O
• Title of publication: Three d10 metal coordination compounds based on pyrazole-3-carboxylic acid showing mixed-ligand characteristic: Syntheses, crystal structures, and photoluminescent properties
• Authors of publication: Liu, Guang-Ning; Zhu, Wen-Juan; Chu, Ya-Nan; Li, Cuncheng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 425
• Pages of publication: 28 - 35
• a: 8.8834 ± 0.0006 Å
• b: 9.2233 ± 0.0005 Å
• c: 9.4907 ± 0.0008 Å
• α: 95.785 ± 0.006°
• β: 100.198 ± 0.006°
• γ: 101.908 ± 0.005°
• Cell volume: 741.21 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0329
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No