Information card for entry 4304869

Structure parameters

• Formula: C76 H76 O28 Zn2
• Calculated formula: C76 H76 O28 Zn2
• SMILES: C(=O)(c1cc2cc(c(OC)cc2c2c1cc(OC)c(OC)c2)OC)O[Zn]1([O]=C(O[Zn](OC(=O)c2cc3cc(c(OC)cc3c3cc(OC)c(OC)cc23)OC)([O]=C(O1)c1cc2cc(OC)c(cc2c2cc(c(cc12)OC)OC)OC)([OH2])[OH2])c1cc2cc(OC)c(cc2c2cc(c(cc12)OC)OC)OC)([OH2])[OH2]
• Title of publication: Syntheses, Structures, Photoluminescence, and Magnetic Properties of Phenanthrene-Based Carboxylic Acid Coordination Polymers
• Authors of publication: Zhaorui Pan; You Song; Yan Jiao; Zhijie Fang; Yizhi Li; Hegen Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5162 - 5168
• a: 7.333 ± 0.0016 Å
• b: 13.23 ± 0.003 Å
• c: 19.042 ± 0.004 Å
• α: 104.875 ± 0.004°
• β: 92.475 ± 0.004°
• γ: 104.551 ± 0.004°
• Cell volume: 1716.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No