Information card for entry 7214625

Structure parameters

• Formula: C36 H67 N4 O25.5 Zn4
• Calculated formula: C36 H55 N4 O25.5 Zn4
• Title of publication: Solvent-free synthesis of new open-framework oxalate structures
• Authors of publication: Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5734
• a: 9.4178 ± 0.0003 Å
• b: 15.4572 ± 0.0006 Å
• c: 18.2451 ± 0.0009 Å
• α: 95.399 ± 0.004°
• β: 91.352 ± 0.004°
• γ: 90.312 ± 0.003°
• Cell volume: 2643.39 ± 0.19 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: 0.079
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No