Information card for entry 7218244

Structure parameters

• Formula: C52 H68 N2 O30 Zn3
• Calculated formula: C52 H52 N2 O30 Zn3
• Title of publication: Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property
• Authors of publication: Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 9939
• a: 12.123 ± 0.0006 Å
• b: 16.851 ± 0.0008 Å
• c: 17.716 ± 0.0008 Å
• α: 106.672 ± 0.004°
• β: 109.3 ± 0.004°
• γ: 99.89 ± 0.004°
• Cell volume: 3126.7 ± 0.3 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: 0.111
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.2573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No