Information card for entry 1520080

Structure parameters

• Formula: C65 H69 N7 O44.17 Zn6
• Calculated formula: C65 H69 N7 O44.1666 Zn6
• Title of publication: Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate
• Authors of publication: Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 27
• Pages of publication: 5101
• a: 12.6947 ± 0.0008 Å
• b: 12.8242 ± 0.0006 Å
• c: 14.7971 ± 0.0007 Å
• α: 85.11 ± 0.004°
• β: 65.988 ± 0.005°
• γ: 89.663 ± 0.004°
• Cell volume: 2191.4 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0708
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No